Geometry & MOs

Info

ID:	185283
PubChem CID:	77280972
Reduced:	SCl2N3O5H13C17 (1)
Stoich.:	AB2C3D5E13F17 (1)
Weight, g/mol:	381.16079
ΔH_f, kcal/mol:	-78.11
Dipole, Da:	7.46
IP(EA), eV:	-9.22(-2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2-[3-(4-phenylpiperidin-1-yl)propyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN(C2=C(C(=CC3=NC(=O)C(=O)N=C32)Cl)Cl)S(=O)(=O)C

DOS

IR

Vibrations