Geometry & MOs

Info

ID:	397183
PubChem CID:	135029855
Reduced:	OSiC20H22 (1)
Stoich.:	ABC20D22 (1)
Weight, g/mol:	219.064391
ΔH_f, kcal/mol:	5.21
Dipole, Da:	3.64
IP(EA), eV:	-8.87(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C(=O)C2=CC=CC=C2)C#C[Si](C)(C)C

DOS

IR

Vibrations