Geometry & MOs

Info

ID:	352789
PubChem CID:	127283878
Reduced:	ON5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-36.28
Dipole, Da:	5.84
IP(EA), eV:	-9.26(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCCC(C4)N5C=NC=N5

DOS

IR

Vibrations