Geometry & MOs

Info

ID:	126783
PubChem CID:	50978462
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	5.73
Dipole, Da:	7.17
IP(EA), eV:	-8.9(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CO1)NC(=O)C2=C3N(C=CN3N=C2)C

DOS

IR

Vibrations