Geometry & MOs

Info

ID:

389311

PubChem CID:

134992183

Reduced:

NC22H30 (2)

Stoich.:

AB22C30 (2)

Weight, g/mol:

1508.402322

ΔHf, kcal/mol:

-19.06

Dipole, Da:

2.2

IP(EA), eV:

 -8.1(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4-ditert-butyl-6-[2-[2-(3,5-ditert-butyl-2-hydroxy-N-methylanilino)-6-methylphenyl]-N,3-dimethylanilino]phenol;methanidylbenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;zirconium(2+)

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NCC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C3=C(C=CC=C3NCC4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C

DOS

IR

Vibrations