Geometry & MOs

Info

ID:

80371

PubChem CID:

49834191

Reduced:

N10O11C50H84 (1)

Stoich.:

A10B11C50D84 (1)

Weight, g/mol:

329.146345

ΔHf, kcal/mol:

-566.33

Dipole, Da:

5.78

IP(EA), eV:

 -9.39(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)N

DOS

IR

Vibrations