Geometry & MOs

Info

ID:	45391
PubChem CID:	10512637
Reduced:	SN2O2C9H10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	211.048072
ΔH_f, kcal/mol:	-69.52
Dipole, Da:	5.47
IP(EA), eV:	-8.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methoxymethyl)-6-nitro-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations