Geometry & MOs

Info

ID:	432125
PubChem CID:	135172257
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	428.340279
ΔH_f, kcal/mol:	-63.77
Dipole, Da:	5.59
IP(EA), eV:	-8.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(4-methylcyclohexyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NC=CC=N2

DOS

IR

Vibrations