Geometry & MOs

Info

ID:	283036
PubChem CID:	103954617
Reduced:	ClFNO2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	297.048733
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	0.88
IP(EA), eV:	-8.62(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OCC2=C(C(=CC=C2)F)Cl)OC)N

DOS

IR

Vibrations