Geometry & MOs

Info

ID:	420119
PubChem CID:	135111252
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	301.15904
ΔH_f, kcal/mol:	-121.44
Dipole, Da:	4.96
IP(EA), eV:	-8.15(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(4-fluoro-3-methylphenyl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations