Geometry & MOs

Info

ID:	197613
PubChem CID:	78982033
Reduced:	ClN2O4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	315.98811
ΔH_f, kcal/mol:	-156.02
Dipole, Da:	3.02
IP(EA), eV:	-9.54(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CC(=O)NC2

DOS

IR

Vibrations