Geometry & MOs

Info

ID:	431628
PubChem CID:	135171724
Reduced:	NC10H20 (2)
Stoich.:	AB10C20 (2)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	0.44
IP(EA), eV:	-8.35(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(5-cyanopyridin-2-yl)amino]-4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CCCCC(C)(CCC)NC(=C)NC(C(C)C(C)C)C(=C)C

DOS

IR

Vibrations