Geometry & MOs

Info

ID:	201896
PubChem CID:	79600412
Reduced:	ON2C14H24 (1)
Stoich.:	AB2C14D24 (1)
Weight, g/mol:	274.97838
ΔH_f, kcal/mol:	-52.77
Dipole, Da:	3.08
IP(EA), eV:	-7.91(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-[(2,6-dichlorophenyl)methyl]-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCCN(CC)C1=CC(=C(C=C1)C(C)N)O

DOS

IR

Vibrations