Geometry & MOs

Info

ID:	407382
PubChem CID:	135079961
Reduced:	N2O3C32H42 (1)
Stoich.:	A2B3C32D42 (1)
Weight, g/mol:	316.14633
ΔH_f, kcal/mol:	-46.95
Dipole, Da:	7.73
IP(EA), eV:	-8.92(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3E,9E,12E,14E)-15-phenylpentadeca-3,9,12,14-tetraen-5,7-diynoate

Drug info:

PubChemData

Smile

C/C(=C\CC/C(=C/CC1=CC(=CC(=C1)OC)OC)/C#N)/CCC/C(=C\C/C=C(\C)/CCCCC=O)/C#N

DOS

IR

Vibrations