Geometry & MOs

Info

ID:	29751
PubChem CID:	836875
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	337.978046
ΔH_f, kcal/mol:	-90.28
Dipole, Da:	2.74
IP(EA), eV:	-9.06(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(2,6-dichlorophenyl)-2-methylquinazolin-4-one

Drug info:

PubChemData

Smile

CCCC(=O)OC1=CC=CC(=C1C)C

DOS

IR

Vibrations