Geometry & MOs

Info

ID:	319369
PubChem CID:	126655782
Reduced:	NO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	-95.46
Dipole, Da:	3.25
IP(EA), eV:	-9.18(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-ditert-butyl-6-pyrrol-1-ylphenol

Drug info:

PubChemData

Smile

CC(C)CC1=NC2=CC(=CC(=C2OC1=O)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations