Geometry & MOs

Info

ID:	397237
PubChem CID:	135029935
Reduced:	ON2H20C25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	250.033819
ΔH_f, kcal/mol:	56.89
Dipole, Da:	2.88
IP(EA), eV:	-9.33(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-nitro-2-(nitromethyl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CN2[C@@H](C3=CC=CC=C31)[C@@]4(CC2=O)C5=CC=CC=C5N=C4C6=CC=CC=C6

DOS

IR

Vibrations