Geometry & MOs

Info

ID:	285238
PubChem CID:	104098759
Reduced:	FNC3H3 (4)
Stoich.:	ABC3D3 (4)
Weight, g/mol:	268.143645
ΔH_f, kcal/mol:	-123.63
Dipole, Da:	1.15
IP(EA), eV:	-9.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCCN2C=CN=N2)C(F)(F)F)F

DOS

IR

Vibrations