Geometry & MOs

Info

ID:	431787
PubChem CID:	135171893
Reduced:	ClO2N4C25H35 (1)
Stoich.:	AB2C4D25E35 (1)
Weight, g/mol:	436.283826
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	7.42
IP(EA), eV:	-8.13(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[(1-methylbenzimidazol-2-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=NN=C(C=C3)Cl

DOS

IR

Vibrations