Geometry & MOs

Info

ID:	177520
PubChem CID:	76196410
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	428.048127
ΔH_f, kcal/mol:	-9.08
Dipole, Da:	4.62
IP(EA), eV:	-9.3(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

zinc;ethyl 5-chloro-2-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC=C(C)C1=NC(=O)C(N=C1)CC(C)C

DOS

IR

Vibrations