Geometry & MOs

Info

ID:	159715
PubChem CID:	57288660
Reduced:	OC22H22 (1)
Stoich.:	AB22C22 (1)
Weight, g/mol:	397.179027
ΔH_f, kcal/mol:	25.73
Dipole, Da:	1.55
IP(EA), eV:	-8.64(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(6-amino-2-but-1-enylbenzimidazol-1-yl)methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations