Geometry & MOs

Info

ID:	380349
PubChem CID:	134970769
Reduced:	NO5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	298.095357
ΔH_f, kcal/mol:	-209.66
Dipole, Da:	5.22
IP(EA), eV:	-10.3(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2,4-dinitro-3-phenylbut-1-enyl]benzene

Drug info:

PubChemData

Smile

COCOC1CC1CCC2C(OC(=O)N2)CO

DOS

IR

Vibrations