Geometry & MOs

Info

ID:	216245
PubChem CID:	85085941
Reduced:	OSN3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	96.62
Dipole, Da:	6.47
IP(EA), eV:	-8.32(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylprop-1-enyl)-2-(4-nitropent-3-enyl)benzene

Drug info:

PubChemData

Smile

C=CCN1C(=CSC1=NN=O)C2=CC=CC=C2

DOS

IR

Vibrations