Geometry & MOs

Info

ID:	417862
PubChem CID:	135102933
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-64.72
Dipole, Da:	4.57
IP(EA), eV:	-8.94(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCN2C3=CC=CC=C3NC2=O)O)CC4=NC=CN=C4

DOS

IR

Vibrations