Geometry & MOs

Info

ID:	203003
PubChem CID:	79760666
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	-4.66
Dipole, Da:	9.07
IP(EA), eV:	-8.98(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-methyl-5-nitrophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(S1)COC2=CC=CC(=C2C)[N+](=O)[O-]

DOS

IR

Vibrations