Geometry & MOs

Info

ID:	276731
PubChem CID:	103824838
Reduced:	ON2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-60.09
Dipole, Da:	2.9
IP(EA), eV:	-10.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propan-2-ylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)C2=NC=NN2

DOS

IR

Vibrations