Geometry & MOs

Info

ID:	165182
PubChem CID:	74512488
Reduced:	N2O3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	355.14063
ΔH_f, kcal/mol:	-57.31
Dipole, Da:	13.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.148333
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(CNC(=O)C2=C(C3=C(C=C(C=C3O2)C)C)C)[NH+]4CCCC4

DOS

IR

Vibrations