Geometry & MOs

Info

ID:	374537
PubChem CID:	131331229
Reduced:	NOC10H21 (1)
Stoich.:	ABC10D21 (1)
Weight, g/mol:	214.085461
ΔH_f, kcal/mol:	-81.23
Dipole, Da:	2.32
IP(EA), eV:	-9.37(2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-hydroxyphenyl)triazol-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CC(C)C(CO)(C1CCCC1)N

DOS

IR

Vibrations