Geometry & MOs

Info

ID:	213320
PubChem CID:	81063446
Reduced:	N3O5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	289.027249
ΔH_f, kcal/mol:	-135.96
Dipole, Da:	8.26
IP(EA), eV:	-10.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,3-dichlorobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC(C)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations