Geometry & MOs

Info

ID:	178249
PubChem CID:	76303665
Reduced:	SO4N5C21H27 (1)
Stoich.:	AB4C5D21E27 (1)
Weight, g/mol:	411.146203
ΔH_f, kcal/mol:	-117.03
Dipole, Da:	9.66
IP(EA), eV:	-9.09(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(5-chloropyridin-2-yl)piperazin-1-yl]-4-oxobutyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CC2=CC=CC=C2OC)C(=O)C3=CSC(=N3)C)N

DOS

IR

Vibrations