Geometry & MOs

Info

ID:	51993
PubChem CID:	12014764
Reduced:	Cl2O6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	366.085186
ΔH_f, kcal/mol:	-173.34
Dipole, Da:	5.53
IP(EA), eV:	-9.14(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3'-dimethyl-8,8'-dinitro-2,2'-spirobi[chromene]

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2(C(=O)C(=C(C2(OC)OC)OCC3=COC=C3)Cl)Cl

DOS

IR

Vibrations