Geometry & MOs

Info

ID:	415987
PubChem CID:	135088992
Reduced:	ClOSN2C19H25 (1)
Stoich.:	ABCD2E19F25 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-25.22
Dipole, Da:	2.87
IP(EA), eV:	-8.67(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=C(C4=CC=CC=C4S3)Cl)CO

DOS

IR

Vibrations