Geometry & MOs

Info

ID:	147368
PubChem CID:	53787024
Reduced:	F2N3C27H27 (1)
Stoich.:	A2B3C27D27 (1)
Weight, g/mol:	998.67165
ΔH_f, kcal/mol:	-9.14
Dipole, Da:	9.91
IP(EA), eV:	-9.51(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol;4-[[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino]-2,6-dimethylphenol;cumene;ethane;phenol

Drug info:

PubChemData

Smile

CCCCC1(CCCCC1)C2=CC=C(C=C2)C3=CN=C(N=C3)C4=CC(=C(C(=C4)F)C#N)F

DOS

IR

Vibrations