Geometry & MOs

Info

ID:	197787
PubChem CID:	78996953
Reduced:	ClN3O4C10H12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	270.194343
ΔH_f, kcal/mol:	-80.84
Dipole, Da:	5.3
IP(EA), eV:	-10.5(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)N(C1=O)CC=CCCl)[N+](=O)[O-]

DOS

IR

Vibrations