Geometry & MOs

Info

ID:	431794
PubChem CID:	135171900
Reduced:	NO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	496.266125
ΔH_f, kcal/mol:	-125.92
Dipole, Da:	3.7
IP(EA), eV:	-8.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]-3-[[5-(trifluoromethyl)-1H-imidazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CCC(C1=C2C(=CC(=C1)OCC3=CC=CC=C3)NC(=O)CO2)O

DOS

IR

Vibrations