Geometry & MOs

Info

ID:	448875
PubChem CID:	135294197
Reduced:	PN3O6C32H48 (1)
Stoich.:	AB3C6D32E48 (1)
Weight, g/mol:	239.120092
ΔH_f, kcal/mol:	-311.39
Dipole, Da:	6.68
IP(EA), eV:	-8.03(0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl-[(4E)-2-methyl-3-oxo-4-[(Z)-prop-1-enyl]hepta-4,6-dien-2-yl]-oxophosphanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCCCN(C)C(=O)CCP(=O)(C1C2=C(C=C(C=C2)N(C)C)OC3=C1C=CC(=C3)N(C)C)OC

DOS

IR

Vibrations