Geometry & MOs

Info

ID:	422646
PubChem CID:	135118185
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	406.225643
ΔH_f, kcal/mol:	-32.73
Dipole, Da:	2.4
IP(EA), eV:	-8.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCOCCN1CCCC2(C1)CCC3=CN=C(N=C23)C4=CC=CC=C4

DOS

IR

Vibrations