Geometry & MOs

Info

ID:	180607
PubChem CID:	76660010
Reduced:	BrNYH7C10 (1)
Stoich.:	ABCD7E10 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	77.8
Dipole, Da:	1.99
IP(EA), eV:	-5.38(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitroethenyl)-4-(2-phenylethyl)benzene

Drug info:

PubChemData

Smile

C=C1C2=C(C=C[N-]1)C(=CC=C2)Br.[Y]

DOS

IR

Vibrations