Geometry & MOs

Info

ID:	400519
PubChem CID:	135048182
Reduced:	BSF3O5C21H32 (1)
Stoich.:	ABC3D5E21F32 (1)
Weight, g/mol:	293.066363
ΔH_f, kcal/mol:	-397.46
Dipole, Da:	4.09
IP(EA), eV:	-9.18(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-nitro-1-phenylethenyl]-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)CCCC3(CCCCC=C3OS(=O)(=O)C(F)(F)F)C(=O)OC

DOS

IR

Vibrations