Geometry & MOs

Info

ID:	50023
PubChem CID:	11538803
Reduced:	ON2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	412.26136
ΔH_f, kcal/mol:	-74.16
Dipole, Da:	5.68
IP(EA), eV:	-8.84(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3,5-dimethoxy-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]prop-2-enal

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNCCCCNCC(=O)NC2=C(C=CC=C2C)C

DOS

IR

Vibrations