Geometry & MOs

Info

ID:	431956
PubChem CID:	135172084
Reduced:	NOC12H17 (2)
Stoich.:	ABC12D17 (2)
Weight, g/mol:	429.335528
ΔH_f, kcal/mol:	-84.0
Dipole, Da:	6.03
IP(EA), eV:	-8.18(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(1-methylpiperidin-4-yl)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=CC=CC=C2

DOS

IR

Vibrations