Geometry & MOs

Info

ID:	186972
PubChem CID:	77509613
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	436.315287
ΔH_f, kcal/mol:	-48.48
Dipole, Da:	7.46
IP(EA), eV:	-8.57(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16,16-difluoro-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]

Drug info:

PubChemData

Smile

CCCC(C)C1=C2C(=O)N(C(NN2C(=C1)C)C3=C(C=C(C=C3)OC)CC)C

DOS

IR

Vibrations