Geometry & MOs

Info

ID:	432111
PubChem CID:	135172243
Reduced:	N3O4C28H35 (1)
Stoich.:	A3B4C28D35 (1)
Weight, g/mol:	424.283826
ΔH_f, kcal/mol:	-101.14
Dipole, Da:	6.95
IP(EA), eV:	-8.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-(pyrimidin-2-ylmethylamino)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=C(C(=O)C2=O)NC3=CC=CC=C3

DOS

IR

Vibrations