Geometry & MOs

Info

ID:	191215
PubChem CID:	78118979
Reduced:	F5N5O6C20H20 (1)
Stoich.:	A5B5C6D20E20 (1)
Weight, g/mol:	604.376389
ΔH_f, kcal/mol:	-349.91
Dipole, Da:	13.52
IP(EA), eV:	-9.77(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(5-methyl-2-propan-2-ylcyclohexyl) 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC(=C(C(=C2)F)OC(F)(F)F)F)CC(=O)NC3CN4C=C(N=C4OC3)[N+](=O)[O-]

DOS

IR

Vibrations