Geometry & MOs

Info

ID:	150415
PubChem CID:	53790105
Reduced:	PSC3O4H7 (1)
Stoich.:	ABC3D4E7 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	-247.24
Dipole, Da:	4.46
IP(EA), eV:	-10.06(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(diethoxymethyl)-4-(2-nitrohexyl)benzene

Drug info:

PubChemData

Smile

C(CP(=S)(O)O)C(=O)O

DOS

IR

Vibrations