Geometry & MOs

Info

ID:	343318
PubChem CID:	127266491
Reduced:	OSN5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	37.78
Dipole, Da:	1.22
IP(EA), eV:	-8.92(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylpiperidin-1-yl)-4-(1,2,4-triazol-1-yl)butan-1-one

Drug info:

PubChemData

Smile

C1=CN=CC=C1CCC(=O)NCCNC2=C3C=CSC3=NC=N2

DOS

IR

Vibrations