Geometry & MOs

Info

ID:	287782
PubChem CID:	104294385
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	310.083268
ΔH_f, kcal/mol:	49.95
Dipole, Da:	9.72
IP(EA), eV:	-10.07(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-4-(2-methoxyethyl)-5-(3-methyl-5-nitrophenyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCN1C=NN=C1C2=CC(=CC(=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations