Geometry & MOs

Info

ID:	285244
PubChem CID:	104098791
Reduced:	Cl2N4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	340.05349
ΔH_f, kcal/mol:	66.22
Dipole, Da:	5.52
IP(EA), eV:	-9.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CNCCN2C=CN=N2)Cl

DOS

IR

Vibrations