Geometry & MOs

Info

ID:	432114
PubChem CID:	135172246
Reduced:	O3N4C24H36 (1)
Stoich.:	A3B4C24D36 (1)
Weight, g/mol:	423.288577
ΔH_f, kcal/mol:	-125.95
Dipole, Da:	7.35
IP(EA), eV:	-8.35(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC(=N1)NC2=C(C=CC(=C2)C(C)CC(=O)O)N(CC(C)C)C3CCCCC3

DOS

IR

Vibrations