Geometry & MOs

Info

ID:	337449
PubChem CID:	127257134
Reduced:	NOC13H18 (2)
Stoich.:	ABC13D18 (2)
Weight, g/mol:	345.185942
ΔH_f, kcal/mol:	-60.29
Dipole, Da:	2.6
IP(EA), eV:	-8.68(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-[(tert-butylamino)methyl]-3-chloro-6-phenylphenol

Drug info:

PubChemData

Smile

CCCCOC1=CC(=C(C(=C1)C)/C=C/C(=O)N(CCCN(C)C)C2=CC=CC=C2)C

DOS

IR

Vibrations