Geometry & MOs

Info

ID:	207333
PubChem CID:	80380263
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	293.221561
ΔH_f, kcal/mol:	-109.09
Dipole, Da:	5.91
IP(EA), eV:	-9.47(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)C(=O)N(CCC(=O)OC)CC(C)C

DOS

IR

Vibrations