Geometry & MOs

Info

ID:	285243
PubChem CID:	104098786
Reduced:	SN5C10H15 (1)
Stoich.:	AB5C10D15 (1)
Weight, g/mol:	270.043902
ΔH_f, kcal/mol:	83.22
Dipole, Da:	5.28
IP(EA), eV:	-9.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,6-dichlorophenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNCCN2C=CN=N2

DOS

IR

Vibrations