Geometry & MOs

Info

ID:	290385
PubChem CID:	104441323
Reduced:	ClN2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	264.137497
ΔH_f, kcal/mol:	63.65
Dipole, Da:	3.69
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-phenylphenyl)triazol-1-yl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C2=CN(N=N2)CCN

DOS

IR

Vibrations