Geometry & MOs

Info

ID:	84346
PubChem CID:	49865949
Reduced:	FCl2N2O7H23C27 (1)
Stoich.:	AB2C2D7E23F27 (1)
Weight, g/mol:	351.138992
ΔH_f, kcal/mol:	-281.11
Dipole, Da:	6.69
IP(EA), eV:	-9.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[[3-(2-chlorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

C1O[C@H]([C@@H](O1)C(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)C(=O)O)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations