Geometry & MOs

Info

ID:	352781
PubChem CID:	127283870
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	319.237211
ΔH_f, kcal/mol:	10.14
Dipole, Da:	2.17
IP(EA), eV:	-9.31(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)NC(=O)CN3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations