Geometry & MOs

Info

ID:	280222
PubChem CID:	103847808
Reduced:	O2N4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	283.080435
ΔH_f, kcal/mol:	-48.47
Dipole, Da:	1.71
IP(EA), eV:	-8.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dinitroanilino)methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1COCC1(CNC2=NC=CN=C2N)O

DOS

IR

Vibrations