Geometry & MOs

Info

ID:	432144
PubChem CID:	135172276
Reduced:	N3O4C29H31 (1)
Stoich.:	A3B4C29D31 (1)
Weight, g/mol:	484.247441
ΔH_f, kcal/mol:	-77.18
Dipole, Da:	6.46
IP(EA), eV:	-8.5(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1H-benzimidazol-2-ylamino)-4-[cyclohexyl(2-methoxyethyl)amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

COCCN(C1CCCCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)NC4=NC5=CC=CC=C5O4

DOS

IR

Vibrations