Geometry & MOs

Info

ID:	55791
PubChem CID:	17396544
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	318.121572
ΔH_f, kcal/mol:	-154.23
Dipole, Da:	2.4
IP(EA), eV:	-9.51(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-methyl 2-O-[2-(1-methylpyrrol-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC=C

DOS

IR

Vibrations