Geometry & MOs

Info

ID:	6741
PubChem CID:	69784
Reduced:	NO3C45H69 (1)
Stoich.:	AB3C45D69 (1)
Weight, g/mol:	671.527745
ΔH_f, kcal/mol:	-199.89
Dipole, Da:	2.8
IP(EA), eV:	-8.38(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]methyl]-2,6-ditert-butylphenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

DOS

IR

Vibrations