Geometry & MOs

Info

ID:	416471
PubChem CID:	135089486
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-44.32
Dipole, Da:	4.53
IP(EA), eV:	-8.47(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylquinolin-3-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CNC(=C(C1=O)C)CN(C[C@@H]2CCC(=O)N2)CC3=CC=CC=N3

DOS

IR

Vibrations