Geometry & MOs

Info

ID:	146148
PubChem CID:	53643631
Reduced:	NO2C34H41 (1)
Stoich.:	AB2C34D41 (1)
Weight, g/mol:	494.243024
ΔH_f, kcal/mol:	-45.8
Dipole, Da:	1.99
IP(EA), eV:	-9.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[5-[4-(benzimidazol-1-yl)phenyl]-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCCCCCC)C#N

DOS

IR

Vibrations