Geometry & MOs

Info

ID:	446678
PubChem CID:	135276878
Reduced:	NOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	-26.0
Dipole, Da:	3.53
IP(EA), eV:	-9.53(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4E)-4-benzylidene-2-methylhept-2-enal

Drug info:

PubChemData

Smile

CCCCCC/C(=C\C1=CC=CC=C1)/C=C/C(=O)N

DOS

IR

Vibrations