Geometry & MOs

Info

ID:	285275
PubChem CID:	104098921
Reduced:	FN4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	238.103003
ΔH_f, kcal/mol:	27.45
Dipole, Da:	3.33
IP(EA), eV:	-9.55(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNCCN2C=CN=N2)F

DOS

IR

Vibrations