Geometry & MOs

Info

ID:	415698
PubChem CID:	135088698
Reduced:	NO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	357.185255
ΔH_f, kcal/mol:	-191.54
Dipole, Da:	3.39
IP(EA), eV:	-9.52(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)ethyl]-2-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C(=O)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations