Geometry & MOs

Info

ID:	152348
PubChem CID:	56311263
Reduced:	N4O4C25H32 (1)
Stoich.:	A4B4C25D32 (1)
Weight, g/mol:	410.150954
ΔH_f, kcal/mol:	-110.59
Dipole, Da:	3.73
IP(EA), eV:	-9.23(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4

DOS

IR

Vibrations