Geometry & MOs

Info

ID:	432112
PubChem CID:	135172244
Reduced:	O2N4C25H36 (1)
Stoich.:	A2B4C25D36 (1)
Weight, g/mol:	458.274485
ΔH_f, kcal/mol:	-64.34
Dipole, Da:	7.04
IP(EA), eV:	-8.2(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(3,4-difluorophenyl)methylamino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NCC3=NC=CC=N3

DOS

IR

Vibrations