Geometry & MOs

Info

ID:	270334
PubChem CID:	103636103
Reduced:	ClO2N3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	308.01604
ΔH_f, kcal/mol:	-52.87
Dipole, Da:	4.97
IP(EA), eV:	-9.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-(2-hydroxyphenyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1COCCCNC(=O)C2=CC(=C(N=C2)N)Cl

DOS

IR

Vibrations