Geometry & MOs

Info

ID:	179299
PubChem CID:	76463313
Reduced:	O9C22H32 (1)
Stoich.:	A9B22C32 (1)
Weight, g/mol:	754.556306
ΔH_f, kcal/mol:	-407.93
Dipole, Da:	3.43
IP(EA), eV:	-10.36(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4,4,8,8-tetrakis(4-tert-butylphenyl)-2,2-dimethylspiro[3a,5,7,8a-tetrahydro-[1,3]dioxolo[4,5-d]azepin-6-ium-6,1'-azolidin-1-ium]

Drug info:

PubChemData

Smile

CC1(C(OC2(CC(=CC(=O)OC)CC(O2)C=C)CC1=O)CC(CC(CC(=O)O)O)O)C

DOS

IR

Vibrations