Geometry & MOs

Info

ID:	148683
PubChem CID:	53788351
Reduced:	NC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	452.365431
ΔH_f, kcal/mol:	40.03
Dipole, Da:	3.82
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-3-[2-(2,4-ditert-butyl-3-hydroxyphenyl)propan-2-yl]phenol

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2=CC=C(C=C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations