Geometry & MOs

Info

ID:	25894
PubChem CID:	632670
Reduced:	Cl3N4O4H9C14 (1)
Stoich.:	A3B4C4D9E14 (1)
Weight, g/mol:	366.99564
ΔH_f, kcal/mol:	47.38
Dipole, Da:	5.56
IP(EA), eV:	-9.72(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(3-bromophenyl)chromeno[4,3-d]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(Cl)(Cl)Cl

DOS

IR

Vibrations