Geometry & MOs

Info

ID:	213796
PubChem CID:	81065006
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	6.66
IP(EA), eV:	-10.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxybenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=CN1C2CC2)[N+](=O)[O-]

DOS

IR

Vibrations