Geometry & MOs

Info

ID:	26865
PubChem CID:	800497
Reduced:	ClOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	3.11
Dipole, Da:	1.9
IP(EA), eV:	-9.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CNC(=O)CSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations