Geometry & MOs

Info

ID:	280861
PubChem CID:	103851653
Reduced:	NOF2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	248.112505
ΔH_f, kcal/mol:	-102.08
Dipole, Da:	4.53
IP(EA), eV:	-9.33(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(3,5-difluorophenyl)methyl]-1-pyridin-3-ylethanamine

Drug info:

PubChemData

Smile

C1CC1COCCNCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations