Geometry & MOs

Info

ID:	83342
PubChem CID:	49857470
Reduced:	ClON2H25C27 (1)
Stoich.:	ABC2D25E27 (1)
Weight, g/mol:	442.12772
ΔH_f, kcal/mol:	59.09
Dipole, Da:	4.96
IP(EA), eV:	-8.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-9-(1-nitrodibenzofuran-4-yl)pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2Cl)CCCC(C#N)OCC4=CC=CC=C4

DOS

IR

Vibrations