Geometry & MOs

Info

ID:	392297
PubChem CID:	135014263
Reduced:	OPC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	592.376389
ΔH_f, kcal/mol:	-32.23
Dipole, Da:	12.58
IP(EA), eV:	-6.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[7-(1-acetyloxycycloheptyl)-4-[3-(1-acetyloxycycloheptyl)prop-2-ynyl]hepta-1,6-diynyl]cycloheptyl] acetate

Drug info:

PubChemData

Smile

C[P+](C)(C1CCCC(=C1)[O-])C2=CC=CC=C2

DOS

IR

Vibrations