Geometry & MOs

Info

ID:	191509
PubChem CID:	78155091
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-40.95
Dipole, Da:	3.28
IP(EA), eV:	-8.62(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(3,5-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CN(CCN1)C2=CN3C(=NC(=CC3=O)C4=CC5=C(C=C4)OCCO5)C=C2

DOS

IR

Vibrations