Geometry & MOs

Info

ID:	285289
PubChem CID:	104098952
Reduced:	FNC3H3 (4)
Stoich.:	ABC3D3 (4)
Weight, g/mol:	253.132746
ΔH_f, kcal/mol:	-122.51
Dipole, Da:	5.59
IP(EA), eV:	-10.0(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(isoquinolin-4-ylmethyl)-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(F)(F)F)CNCCN2C=CN=N2

DOS

IR

Vibrations