Geometry & MOs

Info

ID:	213544
PubChem CID:	81064094
Reduced:	N3O5C10H13 (1)
Stoich.:	A3B5C10D13 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-127.03
Dipole, Da:	5.6
IP(EA), eV:	-10.35(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-hydroxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=CN1)[N+](=O)[O-]

DOS

IR

Vibrations