Geometry & MOs

Info

ID:	423272
PubChem CID:	135119221
Reduced:	ClN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-47.48
Dipole, Da:	3.51
IP(EA), eV:	-9.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=C(C=NC=C3)Cl

DOS

IR

Vibrations