Geometry & MOs

Info

ID:	230241
PubChem CID:	87570505
Reduced:	NO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	459.219178
ΔH_f, kcal/mol:	-119.23
Dipole, Da:	4.59
IP(EA), eV:	-8.92(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[piperidin-2-yl(sulfonyl)methoxy]ethanone;naphthalene

Drug info:

PubChemData

Smile

CC(C)[C@H](CC1=CC(=CC=C1)OCC2=CC=CC=C2)C[C@@H]([C@@H]3CO3)NC(=O)O

DOS

IR

Vibrations