Geometry & MOs

Info

ID:	399914
PubChem CID:	135043762
Reduced:	ON3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	265.06987
ΔH_f, kcal/mol:	42.6
Dipole, Da:	3.44
IP(EA), eV:	-9.03(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-(nitromethyl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1C=CC(=C1)C2=CN(N=N2)CCO

DOS

IR

Vibrations