Geometry & MOs

Info

ID:	421357
PubChem CID:	135115857
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	338.235814
ΔH_f, kcal/mol:	-94.42
Dipole, Da:	2.1
IP(EA), eV:	-9.31(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)CCC2CCCCC2

DOS

IR

Vibrations