Geometry & MOs

Info

ID:	393685
PubChem CID:	135021474
Reduced:	N3H15C19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	295.204848
ΔH_f, kcal/mol:	176.57
Dipole, Da:	5.65
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-butyl-5-hex-1-ynyltriazole

Drug info:

PubChemData

Smile

C=CCN1C(=C(N=N1)C2=CC=CC=C2)C#CC3=CC=CC=C3

DOS

IR

Vibrations