Geometry & MOs

Info

ID:	284468
PubChem CID:	104048084
Reduced:	FO3N4H9C11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	208.10342
ΔH_f, kcal/mol:	-17.97
Dipole, Da:	6.49
IP(EA), eV:	-9.68(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethynyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])OC2=NC(=NC=C2F)N

DOS

IR

Vibrations