Geometry & MOs

Info

ID:	285044
PubChem CID:	104092725
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-11.53
Dipole, Da:	1.63
IP(EA), eV:	-8.66(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CCCC#C

DOS

IR

Vibrations