Geometry & MOs

Info

ID:	285292
PubChem CID:	104098958
Reduced:	ON4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	304.004929
ΔH_f, kcal/mol:	-1.99
Dipole, Da:	3.77
IP(EA), eV:	-9.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(triazol-1-yl)-N-[(2,3,6-trichlorophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CC(CCO1)NCCN2C=CN=N2

DOS

IR

Vibrations