Geometry & MOs

Info

ID:	420744
PubChem CID:	135114752
Reduced:	FN3O3C22H28 (1)
Stoich.:	AB3C3D22E28 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-87.57
Dipole, Da:	5.3
IP(EA), eV:	-8.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NCC2CC23CCCCC3)C4=CC(=C(C=C4)F)OC

DOS

IR

Vibrations