Geometry & MOs

Info

ID:	281303
PubChem CID:	103913671
Reduced:	FON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	280.137577
ΔH_f, kcal/mol:	-14.2
Dipole, Da:	5.51
IP(EA), eV:	-8.75(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NCC2=C(C(=CC=C2)C#N)F

DOS

IR

Vibrations