Geometry & MOs

Info

ID:	298955
PubChem CID:	117664446
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-144.79
Dipole, Da:	5.88
IP(EA), eV:	-9.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-4-methoxy-6-[(E)-2-(4-methoxypyridin-2-yl)ethenyl]-3-(3-methylbut-3-enyl)benzoate

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1O)C(=O)OC)/C=C/C2=C(C=CC=N2)OC)OC

DOS

IR

Vibrations