Geometry & MOs

Info

ID:	420164
PubChem CID:	135111524
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-116.64
Dipole, Da:	3.66
IP(EA), eV:	-8.71(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-cyclopentylpiperidin-4-yl)-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)C(=O)N2CCCN(CC2)C(=O)CSC

DOS

IR

Vibrations