Geometry & MOs

Info

ID:	423675
PubChem CID:	135119971
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-132.17
Dipole, Da:	5.15
IP(EA), eV:	-8.82(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(2-methylsulfonylethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCCC(C(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC)N4C=CC=C4

DOS

IR

Vibrations