Geometry & MOs

Info

ID:	148120
PubChem CID:	53787782
Reduced:	NO2C4H6 (2)
Stoich.:	AB2C4D6 (2)
Weight, g/mol:	382.149971
ΔH_f, kcal/mol:	-25.39
Dipole, Da:	2.9
IP(EA), eV:	-9.55(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[4-[3-(4-fluorophenoxy)phenyl]-2-methylbutan-2-yl]-2-methylbenzene

Drug info:

PubChemData

Smile

CCC(C=C(C=O)N=O)C(C)[N+](=O)[O-]

DOS

IR

Vibrations