Geometry & MOs

Info

ID:	224259
PubChem CID:	85340882
Reduced:	SO4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	260.071641
ΔH_f, kcal/mol:	-187.23
Dipole, Da:	4.04
IP(EA), eV:	-8.78(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-5,6,7,8-tetrahydro-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CCC1CC(C(C(=O)OC1=O)(C)OCSC)C

DOS

IR

Vibrations