Geometry & MOs

Info

ID:	425624
PubChem CID:	135127026
Reduced:	NPO3C4H6 (1)
Stoich.:	ABC3D4E6 (1)
Weight, g/mol:	306.16198
ΔH_f, kcal/mol:	-127.32
Dipole, Da:	6.08
IP(EA), eV:	-10.32(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[3-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]oxyphenoxy]benzene

Drug info:

PubChemData

Smile

C1C(C(=O)OC1=O)PN

DOS

IR

Vibrations