Geometry & MOs

Info

ID:	381646
PubChem CID:	134972443
Reduced:	IO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-41.78
Dipole, Da:	5.04
IP(EA), eV:	-9.55(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 3-(4-hydroxyphenyl)-4-phenyl-1H-pyrrole-2,5-dicarboxylate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CI)OC2=O

DOS

IR

Vibrations