Geometry & MOs

Info

ID:	173278
PubChem CID:	75616832
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	272.017497
ΔH_f, kcal/mol:	-23.72
Dipole, Da:	7.73
IP(EA), eV:	-8.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4aH-quinazoline-4-thione

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC(=CC=C2)OC

DOS

IR

Vibrations