Geometry & MOs

Info

ID:	326203
PubChem CID:	126687076
Reduced:	ClFON6C21H26 (1)
Stoich.:	ABCD6E21F26 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-4.47
Dipole, Da:	7.29
IP(EA), eV:	-8.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H]1CCCC[C@H]1N=C(C(=C)F)N/C(=C/2\C=NC3=C2C=C(C=N3)Cl)/NC

DOS

IR

Vibrations