Geometry & MOs

Info

ID:	352770
PubChem CID:	127283859
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	310.154209
ΔH_f, kcal/mol:	-45.22
Dipole, Da:	4.5
IP(EA), eV:	-8.82(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(=O)NCC2COC3=CC=CC=C3O2)N4C=NC=N4

DOS

IR

Vibrations