Geometry & MOs

Info

ID:	375226
PubChem CID:	131480960
Reduced:	O3N5C8H8 (1)
Stoich.:	A3B5C8D8 (1)
Weight, g/mol:	239.047696
ΔH_f, kcal/mol:	36.27
Dipole, Da:	6.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.886198
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C([N+](=C2C(=NC(=NC2=O)N)N1[O-])[O-])C

DOS

IR

Vibrations