Geometry & MOs

Info

ID:	285266
PubChem CID:	104098884
Reduced:	ClON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	270.043902
ΔH_f, kcal/mol:	30.39
Dipole, Da:	4.32
IP(EA), eV:	-9.25(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)CNCCN2C=CN=N2)O

DOS

IR

Vibrations