Geometry & MOs

Info

ID:	399929
PubChem CID:	135043901
Reduced:	OH5C6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	264.074621
ΔH_f, kcal/mol:	47.19
Dipole, Da:	3.3
IP(EA), eV:	-9.72(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2,4-dinitrophenyl)hex-1-en-3-one

Drug info:

PubChemData

Smile

C#C[C@H](C1=CC=C(C=C1)[C@H](C#C)O)O

DOS

IR

Vibrations