Geometry & MOs

Info

ID:	288520
PubChem CID:	104318466
Reduced:	NO2C11H23 (1)
Stoich.:	AB2C11D23 (1)
Weight, g/mol:	166.085461
ΔH_f, kcal/mol:	-127.17
Dipole, Da:	1.68
IP(EA), eV:	-8.94(2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxybutyl)-1,2,4-triazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC(CCN1CCCC1CCCO)O

DOS

IR

Vibrations