Geometry & MOs

Info

ID:	48650
PubChem CID:	11110257
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-20.1
Dipole, Da:	4.76
IP(EA), eV:	-8.56(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethoxymethyl)-5,5-dimethyl-8-phenyl-7,8-dihydro-6H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C/C(=C(\CC2=CC=C(C=C2)OC)/N=O)/NO

DOS

IR

Vibrations