Geometry & MOs

Info

ID:	149363
PubChem CID:	53789035
Reduced:	BrC19H21 (1)
Stoich.:	AB19C21 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	21.41
Dipole, Da:	3.08
IP(EA), eV:	-8.97(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-but-2-enyl-4-methylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(C1CC2=CC=CC=C2C1)(C3=CC=CC=C3)Br

DOS

IR

Vibrations