Geometry & MOs

Info

ID:	285324
PubChem CID:	104099046
Reduced:	ON4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	220.112425
ΔH_f, kcal/mol:	36.72
Dipole, Da:	5.92
IP(EA), eV:	-8.82(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNCCN2C=CN=N2

DOS

IR

Vibrations