Geometry & MOs

Info

ID:	406019
PubChem CID:	135076310
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	491.149775
ΔH_f, kcal/mol:	-87.09
Dipole, Da:	3.06
IP(EA), eV:	-9.36(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(1-diphenoxyphosphoryloxyethenyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

C=CCOCC(=O)CCCOCC1=CC=CC=C1

DOS

IR

Vibrations