Geometry & MOs

Info

ID:	325951
PubChem CID:	126685761
Reduced:	Cl2O3N4H14C17 (1)
Stoich.:	A2B3C4D14E17 (1)
Weight, g/mol:	330.91663
ΔH_f, kcal/mol:	-46.44
Dipole, Da:	2.76
IP(EA), eV:	-9.47(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(2,5-dichlorophenyl)methyl]pyrrole-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(N(C(=N1)C2=CN=CC(=N2)OC)CC3=C(C=CC(=C3)Cl)Cl)C(=O)O

DOS

IR

Vibrations