Geometry & MOs

Info

ID:	191508
PubChem CID:	78155086
Reduced:	ON2C28H30 (1)
Stoich.:	AB2C28D30 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	35.63
Dipole, Da:	5.33
IP(EA), eV:	-8.41(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C=CC4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations