Geometry & MOs

Info

ID:	44334
PubChem CID:	10502799
Reduced:	NO8C22H25 (1)
Stoich.:	AB8C22D25 (1)
Weight, g/mol:	431.05546
ΔH_f, kcal/mol:	-213.56
Dipole, Da:	3.52
IP(EA), eV:	-8.78(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-1-[(2-bromothiophen-3-yl)methyl]-3,3,4,4-tetramethyl-5-phenacylidenepyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC(=O)C(=C(C=C3O1)OC)O)OC)OC)OC

DOS

IR

Vibrations