Geometry & MOs

Info

ID:	326257
PubChem CID:	126687243
Reduced:	FN5C12H14 (1)
Stoich.:	AB5C12D14 (1)
Weight, g/mol:	366.230728
ΔH_f, kcal/mol:	47.71
Dipole, Da:	4.78
IP(EA), eV:	-7.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-N-(2,4-dimethylphenyl)-3-(hydroxymethyl)-4-(3-phenylpropyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CNC1=C(CN/C(=C\2/C=NC3C2=CC=CN3)/N1)F

DOS

IR

Vibrations