Geometry & MOs

Info

ID:	273603
PubChem CID:	103771452
Reduced:	ClNOC6H8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	288.04734
ΔH_f, kcal/mol:	-92.72
Dipole, Da:	2.86
IP(EA), eV:	-9.87(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-hydroxy-4-methylpentyl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(C=CC(=N1)Cl)Cl)O

DOS

IR

Vibrations