Geometry & MOs

Info

ID:	393686
PubChem CID:	135021475
Reduced:	N3C19H25 (1)
Stoich.:	A3B19C25 (1)
Weight, g/mol:	347.236148
ΔH_f, kcal/mol:	91.22
Dipole, Da:	5.72
IP(EA), eV:	-9.21(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-cyclohexyl-5-(2-cyclohexylethynyl)triazole

Drug info:

PubChemData

Smile

CCCCC#CC1=C(N=NN1CC2=CC=CC=C2)CCCC

DOS

IR

Vibrations