Geometry & MOs

Info

ID:	213640
PubChem CID:	81064469
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	296.100836
ΔH_f, kcal/mol:	-213.7
Dipole, Da:	8.84
IP(EA), eV:	-8.9(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methoxy-5-nitrobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CC1=C(C=C(C=C1)OC)OC

DOS

IR

Vibrations