Geometry & MOs

Info

ID:	393969
PubChem CID:	135022063
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	347.173273
ΔH_f, kcal/mol:	-16.5
Dipole, Da:	4.2
IP(EA), eV:	-8.58(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 5-but-3-enyl-4-pent-4-enoyl-1H-pyrrole-2,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC(=CNC2=O)CC=C)CC=C

DOS

IR

Vibrations