Geometry & MOs

Info

ID:	21667
PubChem CID:	589468
Reduced:	O2N3H5C8 (1)
Stoich.:	A2B3C5D8 (1)
Weight, g/mol:	175.038176
ΔH_f, kcal/mol:	60.54
Dipole, Da:	4.13
IP(EA), eV:	-10.51(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitroquinazoline

Drug info:

PubChemData

Smile

C1=CC2=NC=NC=C2C(=C1)[N+](=O)[O-]

DOS

IR

Vibrations