Geometry & MOs

Info

ID:	290422
PubChem CID:	104490179
Reduced:	ClN2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-0.45
Dipole, Da:	5.83
IP(EA), eV:	-9.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(3-ethylpyrrolidine-1-carbonyl)thiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCC1CCN(C1)C2=C(C=NC=C2)CCl

DOS

IR

Vibrations