Geometry & MOs

Info

ID:	350757
PubChem CID:	127279045
Reduced:	NOSC15H19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	288.150764
ΔH_f, kcal/mol:	-42.27
Dipole, Da:	4.11
IP(EA), eV:	-8.4(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2CC3=CC=CC=C3S2)C

DOS

IR

Vibrations