Geometry & MOs

Info

ID:	173296
PubChem CID:	75620826
Reduced:	ClON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	384.135304
ΔH_f, kcal/mol:	30.7
Dipole, Da:	3.95
IP(EA), eV:	-9.21(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)N(CC2=CC=CC=N2)C3CC3)Cl)CC(C)C

DOS

IR

Vibrations