Geometry & MOs

Info

ID:	406176
PubChem CID:	135076775
Reduced:	Cl2H10C13 (1)
Stoich.:	A2B10C13 (1)
Weight, g/mol:	411.08339
ΔH_f, kcal/mol:	22.65
Dipole, Da:	3.16
IP(EA), eV:	-9.68(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-bromo-4-[2-methyl-5-[(4-methylphenyl)methyl]pyrrol-1-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCl)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations