Geometry & MOs

Info

ID:	134197
PubChem CID:	51661424
Reduced:	O4N5H11C15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	469.151195
ΔH_f, kcal/mol:	20.15
Dipole, Da:	4.94
IP(EA), eV:	-9.23(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1,3-dioxoisoindol-2-yl)-N-[3-[(8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])O

DOS

IR

Vibrations