Geometry & MOs

Info

ID:	152023
PubChem CID:	56310869
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-93.18
Dipole, Da:	1.37
IP(EA), eV:	-8.02(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-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)NC3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations