Geometry & MOs

Info

ID:	403752
PubChem CID:	135061655
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	310.229666
ΔH_f, kcal/mol:	-92.25
Dipole, Da:	3.23
IP(EA), eV:	-8.58(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-ditert-butyl-5-methyl-2-(4-methylphenoxy)benzene

Drug info:

PubChemData

Smile

CC1=CC(=C2[C@@H]3CCCC[C@H]3N(C2=C1)C(=O)OC)C

DOS

IR

Vibrations