Geometry & MOs

Info

ID:	280218
PubChem CID:	103847774
Reduced:	ClN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	268.105922
ΔH_f, kcal/mol:	-50.05
Dipole, Da:	4.53
IP(EA), eV:	-9.06(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methoxy-4-nitroanilino)methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1COCC1(CNC2=C(C=CC(=C2)Cl)C#N)O

DOS

IR

Vibrations