Geometry & MOs

Info

ID:	258324
PubChem CID:	103152906
Reduced:	NO3C6H7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	215.115758
ΔH_f, kcal/mol:	-153.98
Dipole, Da:	10.02
IP(EA), eV:	-10.4(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyclopropylacetyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations