Geometry & MOs

Info

ID:	83198
PubChem CID:	49857271
Reduced:	BNO5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	458.104876
ΔH_f, kcal/mol:	-155.68
Dipole, Da:	7.57
IP(EA), eV:	-9.28(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C3C(=C(C=C2)[N+](=O)[O-])C4=CC=CC=C4O3

DOS

IR

Vibrations