Geometry & MOs

Info

ID:	431970
PubChem CID:	135172098
Reduced:	NO2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	444.229204
ΔH_f, kcal/mol:	-43.26
Dipole, Da:	1.15
IP(EA), eV:	-9.0(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(5-chloropyrazin-2-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(CCC(=C=O)C)C(C(CO)N=O)N=O

DOS

IR

Vibrations