Geometry & MOs

Info

ID:	203002
PubChem CID:	79760665
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	-5.23
Dipole, Da:	5.49
IP(EA), eV:	-8.79(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC=C(S1)COC2=CC=CC(=C2[N+](=O)[O-])C

DOS

IR

Vibrations