Geometry & MOs

Info

ID:	326357
PubChem CID:	126687382
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-117.36
Dipole, Da:	5.43
IP(EA), eV:	-10.53(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-[3-(2-chlorophenyl)propyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-1-(5-hydroxypyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1CC[C@@H]2C(C(=O)OC2C1)C

DOS

IR

Vibrations