Geometry & MOs

Info

ID:	421430
PubChem CID:	135115997
Reduced:	ClON3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-36.95
Dipole, Da:	4.39
IP(EA), eV:	-8.66(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N(C)CCC2CCCCO2)Cl

DOS

IR

Vibrations