Geometry & MOs

Info

ID:	16172
PubChem CID:	460743
Reduced:	ClN4O5C6H7 (1)
Stoich.:	AB4C5D6E7 (1)
Weight, g/mol:	250.010497
ΔH_f, kcal/mol:	-19.57
Dipole, Da:	7.79
IP(EA), eV:	-11.19(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(2,4-dinitroimidazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1=C(N=C(N1CC(CCl)O)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations