Geometry & MOs

Info

ID:	160743
PubChem CID:	57389645
Reduced:	ClSN5C16H18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	329.12949
ΔH_f, kcal/mol:	68.96
Dipole, Da:	3.6
IP(EA), eV:	-8.54(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chloroanilino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CN(C)C(=S)N1CCC2=NC(=NC=C2C1)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations