Geometry & MOs

Info

ID:	193346
PubChem CID:	78378675
Reduced:	ClNO3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	250.033819
ΔH_f, kcal/mol:	-58.73
Dipole, Da:	4.28
IP(EA), eV:	-10.25(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5,7-dinitro-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=O)C2=CC(C=CC2=N1)Cl

DOS

IR

Vibrations