Geometry & MOs

Info

ID:	392454
PubChem CID:	135016533
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-6.47
Dipole, Da:	1.57
IP(EA), eV:	-9.03(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[(E)-2-nitro-3-phenylprop-1-enyl]benzene

Drug info:

PubChemData

Smile

C1CCC(=CC1)C#CC2CCCCO2

DOS

IR

Vibrations