Geometry & MOs

Info

ID:	393422
PubChem CID:	135020499
Reduced:	BrIO2N4H6C9 (1)
Stoich.:	ABC2D4E6F9 (1)
Weight, g/mol:	292.1075
ΔH_f, kcal/mol:	102.97
Dipole, Da:	4.53
IP(EA), eV:	-9.84(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]benzene

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])CN2N=C(C(=N2)I)Br

DOS

IR

Vibrations