Geometry & MOs

Info

ID:	31074
PubChem CID:	854389
Reduced:	SN2C5H12 (1)
Stoich.:	AB2C5D12 (1)
Weight, g/mol:	298.087291
ΔH_f, kcal/mol:	-8.35
Dipole, Da:	6.29
IP(EA), eV:	-8.33(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-2-propylquinazolin-4-one

Drug info:

PubChemData

Smile

CCN(CC)C(=S)N

DOS

IR

Vibrations