Geometry & MOs

Info

ID:	420034
PubChem CID:	135110824
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	330.141342
ΔH_f, kcal/mol:	-173.86
Dipole, Da:	4.56
IP(EA), eV:	-9.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-1-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)CC3=CN=CC=C3)OC[C@@H]1O)O

DOS

IR

Vibrations