Geometry & MOs

Info

ID:	273604
PubChem CID:	103771453
Reduced:	BrN2O2C11H17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	244.097856
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	1.26
IP(EA), eV:	-9.46(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC(=CN1)Br)O

DOS

IR

Vibrations