Geometry & MOs

Info

ID:	374932
PubChem CID:	131407186
Reduced:	NOF3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	215.092184
ΔH_f, kcal/mol:	-185.96
Dipole, Da:	4.92
IP(EA), eV:	-9.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-(difluoromethyl)-2-fluoro-5-methylphenyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(F)F)F)[C@@H](CO)N

DOS

IR

Vibrations