Geometry & MOs

Info

ID:	159047
PubChem CID:	57260069
Reduced:	ClO2N4H11C15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	312.20893
ΔH_f, kcal/mol:	111.89
Dipole, Da:	1.49
IP(EA), eV:	-9.64(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-hydroxy-3,5-dimethylphenyl)pentan-2-yl]-2,6-dimethylphenol

Drug info:

PubChemData

Smile

CC1=NC(N=N1)(C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3Cl

DOS

IR

Vibrations