Geometry & MOs

Info

ID:	416896
PubChem CID:	135090739
Reduced:	ClON4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	2.52
Dipole, Da:	4.92
IP(EA), eV:	-8.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations