Geometry & MOs

Info

ID:	350785
PubChem CID:	127279073
Reduced:	ClNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	223.103085
ΔH_f, kcal/mol:	-34.22
Dipole, Da:	4.85
IP(EA), eV:	-9.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethylpyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC=C(S2)Cl)C

DOS

IR

Vibrations