Geometry & MOs

Info

ID:	62002
PubChem CID:	26716860
Reduced:	BrNO4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	355.124215
ΔH_f, kcal/mol:	-136.56
Dipole, Da:	2.02
IP(EA), eV:	-9.34(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations