Geometry & MOs

Info

ID:	404740
PubChem CID:	135070253
Reduced:	F2H4C5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	317.118257
ΔH_f, kcal/mol:	-181.61
Dipole, Da:	3.04
IP(EA), eV:	-9.74(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-(4-chlorophenyl)-3-[[(1R)-1-phenylethyl]amino]propanoate

Drug info:

PubChemData

Smile

C=C(CC(F)(F)F)C1=CC=C(C=C1)F

DOS

IR

Vibrations