Geometry & MOs

Info

ID:	233098
PubChem CID:	87692409
Reduced:	BrON4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	550.381081
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	8.87
IP(EA), eV:	-8.59(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-6-tert-butyl-4-methylphenol;4-benzyl-2,6-ditert-butylphenol

Drug info:

PubChemData

Smile

CCC1C2=C(CN(C1=O)Br)C(=CC(=N2)NCCCN(C)C)C

DOS

IR

Vibrations