Geometry & MOs

Info

ID:	417117
PubChem CID:	135091397
Reduced:	FO3N4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	-85.51
Dipole, Da:	5.41
IP(EA), eV:	-8.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(hydroxymethyl)furan-2-yl]-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C3=C(ON=C3N(C)C)C4=CC(=C(C=C4)F)OC

DOS

IR

Vibrations