Geometry & MOs

Info

ID:	419675
PubChem CID:	135108690
Reduced:	FO3N4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-89.5
Dipole, Da:	4.12
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NCCCCN)C2=CC(=C(C=C2)F)OC

DOS

IR

Vibrations