Geometry & MOs

Info

ID:	273334
PubChem CID:	103770923
Reduced:	BrNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	228.093249
ΔH_f, kcal/mol:	-99.06
Dipole, Da:	3.09
IP(EA), eV:	-9.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations