Geometry & MOs

Info

ID:	149267
PubChem CID:	53788939
Reduced:	N3O3C20H20 (1)
Stoich.:	A3B3C20D20 (1)
Weight, g/mol:	268.105922
ΔH_f, kcal/mol:	-24.17
Dipole, Da:	3.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.179443
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(methoxycarbonylamino)-6-methyl-2-oxopyridin-1-yl]propanoate

Drug info:

PubChemData

Smile

COCC1=CC2=C3C=CC=CC3=[N+](C(=O)N2N1)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations