Geometry & MOs

Info

ID:	49127
PubChem CID:	11528739
Reduced:	O2C6H11 (2)
Stoich.:	A2B6C11 (2)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-223.14
Dipole, Da:	4.01
IP(EA), eV:	-10.04(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-methoxy-1,4-dimethyl-5-[(Z)-pyrrol-2-ylidenemethyl]pyrrole

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H]1CCC[C@@H]([C@@H]1[C@H](C)O)O

DOS

IR

Vibrations