Geometry & MOs

Info

ID:	350725
PubChem CID:	127279013
Reduced:	SN2O3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	286.99795
ΔH_f, kcal/mol:	-123.83
Dipole, Da:	3.53
IP(EA), eV:	-9.47(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3)C

DOS

IR

Vibrations