Geometry & MOs

Info

ID:	413833
PubChem CID:	135086783
Reduced:	O3C17H18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-60.29
Dipole, Da:	4.19
IP(EA), eV:	-8.63(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-1-nitro-4-phenoxybenzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C=C)(C2=CC=C(C=C2)OC)O

DOS

IR

Vibrations