Geometry & MOs

Info

ID:	268557
PubChem CID:	103599984
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	268.182715
ΔH_f, kcal/mol:	-95.98
Dipole, Da:	4.08
IP(EA), eV:	-8.76(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-butan-2-ylphenoxy)methyl]-1,4-dimethylbenzene

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OC(C)C(=O)N2CCCCC2

DOS

IR

Vibrations