Geometry & MOs

Info

ID:	277376
PubChem CID:	103828134
Reduced:	BrN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	-43.18
Dipole, Da:	4.6
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)NC(=O)C2=CC(=NC=C2)Br)C)O

DOS

IR

Vibrations