Geometry & MOs

Info

ID:	213578
PubChem CID:	81064253
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-172.7
Dipole, Da:	6.44
IP(EA), eV:	-9.25(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropanecarbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=C(C=C1)NC(=O)C

DOS

IR

Vibrations