Geometry & MOs

Info

ID:	169383
PubChem CID:	75097795
Reduced:	NO6C19H25 (1)
Stoich.:	AB6C19D25 (1)
Weight, g/mol:	318.165351
ΔH_f, kcal/mol:	-212.44
Dipole, Da:	3.56
IP(EA), eV:	-8.97(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(1-prop-2-enoxynona-2,4-dien-4-ylsulfinyl)benzene

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC(=CC=C1)OC)N2CCCCC2.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations