Geometry & MOs

Info

ID:	431983
PubChem CID:	135172111
Reduced:	O2N6C19H30 (1)
Stoich.:	A2B6C19D30 (1)
Weight, g/mol:	428.278741
ΔH_f, kcal/mol:	-21.23
Dipole, Da:	7.14
IP(EA), eV:	-8.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[(4S)-4-methyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]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=NNN=N2

DOS

IR

Vibrations