Geometry & MOs

Info

ID:	355434
PubChem CID:	127288497
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	338.149124
ΔH_f, kcal/mol:	-25.42
Dipole, Da:	3.28
IP(EA), eV:	-8.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations