Geometry & MOs

Info

ID:	207360
PubChem CID:	80386834
Reduced:	ON4C15H26 (1)
Stoich.:	AB4C15D26 (1)
Weight, g/mol:	304.151096
ΔH_f, kcal/mol:	-42.47
Dipole, Da:	5.54
IP(EA), eV:	-9.65(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-1H-1,2,4-triazol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)CNC(=O)C2=NNC(=N2)C(C)(C)C

DOS

IR

Vibrations