Geometry & MOs

Info

ID:	214024
PubChem CID:	81065828
Reduced:	N2O5C12H16 (1)
Stoich.:	A2B5C12D16 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-125.39
Dipole, Da:	10.7
IP(EA), eV:	-9.34(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-carbamoyl-4,6-dimethylpyridin-2-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=CC(=CC(=C1)OC)[N+](=O)[O-]

DOS

IR

Vibrations