Geometry & MOs

Info

ID:	423894
PubChem CID:	135120662
Reduced:	ClON4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-5.86
Dipole, Da:	5.47
IP(EA), eV:	-8.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(2-ethylphenoxy)ethyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCN(C)C)CC2=C(C(=CC=C2)O)Cl

DOS

IR

Vibrations