Geometry & MOs

Info

ID:	32278
PubChem CID:	6436301
Reduced:	ClPH24C27 (1)
Stoich.:	ABC24D27 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	119.18
Dipole, Da:	29.11
IP(EA), eV:	-6.24(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-propan-2-yloxybut-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

DOS

IR

Vibrations