Geometry & MOs

Info

ID:	418162
PubChem CID:	135103734
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	357.185255
ΔH_f, kcal/mol:	-178.31
Dipole, Da:	4.66
IP(EA), eV:	-9.17(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl-methylamino]-1-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C(=O)O

DOS

IR

Vibrations