Geometry & MOs

Info

ID:

190643

PubChem CID:

78036066

Reduced:

O6N8H44C49 (1)

Stoich.:

A6B8C44D49 (1)

Weight, g/mol:

343.225977

ΔHf, kcal/mol:

-14.38

Dipole, Da:

11.04

IP(EA), eV:

 -8.41(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

azane;2-[3-(1-phenylethyl)-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)NC(C1=CC=CC=C1)C(=O)N2C3CC3CC2C4=NC5=C(N4)C=C(C=C5)C#CC6=CC7=C(C=C6)C8=C(CC7)NC(=N8)C9CC1CC1N9C(=O)C(C1=CC=CC=C1)NC(=O)O

DOS

IR

Vibrations