Geometry & MOs

Info

ID:	415073
PubChem CID:	135088059
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	2.71
IP(EA), eV:	-9.12(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(4-methoxyquinolin-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=NC=C2)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N

DOS

IR

Vibrations