Geometry & MOs

Info

ID:	130400
PubChem CID:	51075818
Reduced:	SN3O4C15H27 (1)
Stoich.:	AB3C4D15E27 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-207.42
Dipole, Da:	4.99
IP(EA), eV:	-9.39(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC(=O)NC(C1CCCC1)C(=O)N2CCC(CC2)NS(=O)(=O)C

DOS

IR

Vibrations