Geometry & MOs

Info

ID:	422726
PubChem CID:	135118304
Reduced:	FN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-50.94
Dipole, Da:	3.79
IP(EA), eV:	-8.88(-0.15)
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-methoxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations