Geometry & MOs

Info

ID:	218354
PubChem CID:	85089218
Reduced:	BrSi2O3C19H39 (1)
Stoich.:	AB2C3D19E39 (1)
Weight, g/mol:	451.34503
ΔH_f, kcal/mol:	-258.61
Dipole, Da:	2.75
IP(EA), eV:	-8.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-hexadecylpyridin-4-ylidene)ethylidene]-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(CC=O)CC(C(=C)Br)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations