Geometry & MOs

Info

ID:	285966
PubChem CID:	104142481
Reduced:	ClN3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	286.098524
ΔH_f, kcal/mol:	43.96
Dipole, Da:	5.0
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(chloromethyl)-6-propylpyridin-2-yl]benzotriazole

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)CCl)N2C=NC3=C2C=C(C(=C3)C)C

DOS

IR

Vibrations