Geometry & MOs

Info

ID:	407279
PubChem CID:	135079735
Reduced:	BSiO2C21H31 (1)
Stoich.:	ABC2D21E31 (1)
Weight, g/mol:	297.121237
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	1.71
IP(EA), eV:	-8.61(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

B1(O[C@@H]2[C@H]3CC[C@@]([C@@]2(O1)C4=CC=CC=C4)(C3(C)C)C)/C=C\[Si](C)(C)C

DOS

IR

Vibrations