Geometry & MOs

Info

ID:	51984
PubChem CID:	12014755
Reduced:	NPSF3O3C19H30 (1)
Stoich.:	ABCD3E3F19G30 (1)
Weight, g/mol:	154.062994
ΔH_f, kcal/mol:	-296.39
Dipole, Da:	6.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.113963
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,4E)-5-methyl-6-oxohexa-2,4-dienoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)N=POS(=O)(=O)C(F)(F)F)C(C)(C)C

DOS

IR

Vibrations