Geometry & MOs

Info

ID:

419892

PubChem CID:

135109616

Reduced:

N5O6C35H43 (1)

Stoich.:

A5B6C35D43 (1)

Weight, g/mol:

348.169859

ΔHf, kcal/mol:

-216.24

Dipole, Da:

3.19

IP(EA), eV:

 -9.44(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2H-benzotriazol-5-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=COC=C4

DOS

IR

Vibrations