Geometry & MOs

Info

ID:	387943
PubChem CID:	134987489
Reduced:	OC12H22 (1)
Stoich.:	AB12C22 (1)
Weight, g/mol:	251.098
ΔH_f, kcal/mol:	-65.27
Dipole, Da:	3.64
IP(EA), eV:	-9.92(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]thiophen-2-yl]prop-2-enal

Drug info:

PubChemData

Smile

CCCCC/C(=C\CCCC)/C=O

DOS

IR

Vibrations