Geometry & MOs

Info

ID:	123351
PubChem CID:	50843924
Reduced:	FSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	395.151288
ΔH_f, kcal/mol:	-84.62
Dipole, Da:	2.97
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[4-[6-(dimethylamino)quinazolin-4-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCSC2=NC=C(C=C2)C(=O)NC3=CC=CC=C3)F

DOS

IR

Vibrations