Geometry & MOs

Info

ID:	28159
PubChem CID:	825921
Reduced:	NO3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	224.094963
ΔH_f, kcal/mol:	7.82
Dipole, Da:	5.02
IP(EA), eV:	-8.97(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-methylbenzo[h]quinazoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations