Geometry & MOs

Info

ID:	273243
PubChem CID:	103770752
Reduced:	BrFNO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-134.61
Dipole, Da:	1.68
IP(EA), eV:	-9.95(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations