Geometry & MOs

Info

ID:	417229
PubChem CID:	135091746
Reduced:	N2C11H16 (2)
Stoich.:	A2B11C16 (2)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	38.18
Dipole, Da:	1.72
IP(EA), eV:	-8.25(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(8-methoxy-4-methylquinolin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=N2)NCC3(CC3)CN4CCN(CC4)C)C)C

DOS

IR

Vibrations