Geometry & MOs

Info

ID:	408073
PubChem CID:	135080828
Reduced:	N2O4H10C11 (1)
Stoich.:	A2B4C10D11 (1)
Weight, g/mol:	204.986735
ΔH_f, kcal/mol:	-69.7
Dipole, Da:	5.88
IP(EA), eV:	-8.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dithiolan-2-ylidene)-1-nitropropan-2-one

Drug info:

PubChemData

Smile

CC1=C2C3=CC(=C(C(=C3OC2=NN1)OC)O)O

DOS

IR

Vibrations