Geometry & MOs

Info

ID:	198520
PubChem CID:	79113387
Reduced:	BrClNO3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	353.98513
ΔH_f, kcal/mol:	-86.73
Dipole, Da:	10.65
IP(EA), eV:	-9.34(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(4-methoxy-3-nitrophenyl)methyl]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)CN2C=C(C=C2Br)C(=O)O

DOS

IR

Vibrations