Geometry & MOs

Info

ID:	46773
PubChem CID:	10527175
Reduced:	F2O2H24C29 (1)
Stoich.:	A2B2C24D29 (1)
Weight, g/mol:	442.262028
ΔH_f, kcal/mol:	-73.44
Dipole, Da:	1.76
IP(EA), eV:	-9.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-1-(2-benzhydryloxyethyl)pyrrolidin-2-yl]methyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations