Geometry & MOs

Info

ID:	144840
PubChem CID:	53422507
Reduced:	NO4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	323.119129
ΔH_f, kcal/mol:	-98.97
Dipole, Da:	4.03
IP(EA), eV:	-8.88(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

but-2-enedioate;1-methyl-3-propyl-3-thiophen-2-ylpyrrolidine

Drug info:

PubChemData

Smile

CN1CCCC(C1)OC(=O)C2=CC=CC=C2C(=O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations