Geometry & MOs

Info

ID:	373783
PubChem CID:	131320059
Reduced:	OC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	239.07334
ΔH_f, kcal/mol:	-56.14
Dipole, Da:	1.54
IP(EA), eV:	-9.17(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)C1=CC2=CC=CC=C2C=C1)O

DOS

IR

Vibrations