Geometry & MOs

Info

ID:	277556
PubChem CID:	103829425
Reduced:	BrN2O2C11H17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	302.06299
ΔH_f, kcal/mol:	-46.26
Dipole, Da:	1.65
IP(EA), eV:	-9.25(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-methylpropoxy)-1-propan-2-ylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NOCC(C)C)Br

DOS

IR

Vibrations