Geometry & MOs

Info

ID:	277153
PubChem CID:	103827056
Reduced:	BrClNO2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	325.98215
ΔH_f, kcal/mol:	19.06
Dipole, Da:	4.85
IP(EA), eV:	-9.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(2-pyrrol-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1CC2CN(CC1O2)C(=O)C3=CC(=CC(=C3)Br)Cl

DOS

IR

Vibrations