Geometry & MOs

Info

ID:

377193

PubChem CID:

134223232

Reduced:

ClN18O25C99H143 (1)

Stoich.:

AB18C25D99E143 (1)

Weight, g/mol:

215.00581

ΔHf, kcal/mol:

-1070.71

Dipole, Da:

9.42

IP(EA), eV:

 -8.73(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-bromo-1-(cyclobutylmethyl)triazole

Drug info:

PubChemData

Smile

C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN2C(=O)C=CC2=O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CN=CC=C4)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C

DOS

IR

Vibrations