Geometry & MOs

Info

ID:	407380
PubChem CID:	135079959
Reduced:	O5H10C14 (1)
Stoich.:	A5B10C14 (1)
Weight, g/mol:	402.267114
ΔH_f, kcal/mol:	-147.7
Dipole, Da:	3.2
IP(EA), eV:	-9.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3E,8E,11E)-8-cyano-4,12-dimethyl-17-oxoheptadeca-3,8,11-trienyl]benzonitrile

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)C3=CC(=CC=C3)O)C(=O)O

DOS

IR

Vibrations