Geometry & MOs

Info

ID:	397374
PubChem CID:	135030126
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	219.064391
ΔH_f, kcal/mol:	-92.18
Dipole, Da:	3.79
IP(EA), eV:	-9.25(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(nitromethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@](C/C=C/C(=O)N1C=CC=C1)(CC2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations