Geometry & MOs

Info

ID:	391399
PubChem CID:	135004737
Reduced:	LiOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	311.05422
ΔH_f, kcal/mol:	-36.0
Dipole, Da:	14.51
IP(EA), eV:	-6.18(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-nitrobenzoyl)-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

[Li+].C1CCC(CC1)C(=C[O-])C2CCCCC2

DOS

IR

Vibrations