Geometry & MOs

Info

ID:	285058
PubChem CID:	104094068
Reduced:	ClON4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	310.083268
ΔH_f, kcal/mol:	12.75
Dipole, Da:	2.49
IP(EA), eV:	-9.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloropropyl)-1-[(2-methoxy-5-nitrophenyl)methyl]triazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)CN2C=C(N=N2)CCCCl)OC

DOS

IR

Vibrations