Geometry & MOs

Info

ID:	417540
PubChem CID:	135100176
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-8.68
Dipole, Da:	5.62
IP(EA), eV:	-9.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(6,7-dimethoxy-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations