Geometry & MOs

Info

ID:	407765
PubChem CID:	135080520
Reduced:	NC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	71.07
Dipole, Da:	7.31
IP(EA), eV:	-8.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-4-[(E)-2-phenylethenyl]hex-4-en-3-one

Drug info:

PubChemData

Smile

C/C(=C/C=C/1\C=NC2=CC=CC=C21)/N

DOS

IR

Vibrations