Geometry & MOs

Info

ID:	360622
PubChem CID:	127301267
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-29.59
Dipole, Da:	8.07
IP(EA), eV:	-8.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)CN3CCC(CC3)CC(=O)N4CCN(CC4)C

DOS

IR

Vibrations