Geometry & MOs

Info

ID:	357633
PubChem CID:	127294306
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	6.6
Dipole, Da:	4.81
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-[2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)CC4CCCCN4C

DOS

IR

Vibrations