Geometry & MOs

Info

ID:	372150
PubChem CID:	131293848
Reduced:	NF3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	235.037562
ΔH_f, kcal/mol:	-141.32
Dipole, Da:	1.47
IP(EA), eV:	-9.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-chloro-5-(difluoromethyl)-4-fluorophenyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

C1C[C@@H](C2=C(C1)C(=C(C=C2)F)C(F)F)N

DOS

IR

Vibrations