Geometry & MOs

Info

ID:	355431
PubChem CID:	127288494
Reduced:	OSN7C14H21 (1)
Stoich.:	ABC7D14E21 (1)
Weight, g/mol:	338.149124
ΔH_f, kcal/mol:	40.83
Dipole, Da:	3.11
IP(EA), eV:	-8.9(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1SCC(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations