Geometry & MOs

Info

ID:	422924
PubChem CID:	135118622
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-103.67
Dipole, Da:	3.19
IP(EA), eV:	-8.88(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[3-(hydroxymethyl)-7-methylquinolin-2-yl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations