Geometry & MOs

Info

ID:	165183
PubChem CID:	74512706
Reduced:	N4O4C18H19 (1)
Stoich.:	A4B4C18D19 (1)
Weight, g/mol:	398.146444
ΔH_f, kcal/mol:	-102.97
Dipole, Da:	6.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.989672
Charge, e:	1

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-2-(5-methoxy-1-methyl-2,4-dioxo-4aH-pyrido[2,3-d]pyrimidin-1-ium-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C(=O)C3C(=CC=NC3=[N+](C2=O)C)OC

DOS

IR

Vibrations