Geometry & MOs

Info

ID:	285293
PubChem CID:	104098968
Reduced:	Cl3N4C11H11 (1)
Stoich.:	A3B4C11D11 (1)
Weight, g/mol:	302.100146
ΔH_f, kcal/mol:	60.69
Dipole, Da:	4.26
IP(EA), eV:	-9.69(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations