Geometry & MOs

Info

ID:	55790
PubChem CID:	17396543
Reduced:	N2O6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-225.87
Dipole, Da:	6.28
IP(EA), eV:	-9.56(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-methyl 2-O-prop-2-enyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)OC(C)C(=O)NCC2=CC=CO2

DOS

IR

Vibrations