Geometry & MOs

Info

ID:	414124
PubChem CID:	135087079
Reduced:	NOH14C16 (1)
Stoich.:	ABC14D16 (1)
Weight, g/mol:	344.117746
ΔH_f, kcal/mol:	28.12
Dipole, Da:	4.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.157746
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-diphenylphosphoryloxy-4-methylpent-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CC3=CC=CC=C3C=[NH+]2

DOS

IR

Vibrations