Geometry & MOs

Info

ID:	285025
PubChem CID:	104091250
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	165.090212
ΔH_f, kcal/mol:	-57.33
Dipole, Da:	2.28
IP(EA), eV:	-8.67(1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2H-triazol-4-yl)hex-5-yn-1-ol

Drug info:

PubChemData

Smile

CCN1CCOC(C1)C(CCCC#C)O

DOS

IR

Vibrations