Geometry & MOs

Info

ID:	392139
PubChem CID:	135013235
Reduced:	NO5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	452.04846
ΔH_f, kcal/mol:	-242.76
Dipole, Da:	3.53
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[[(3R)-13-iodo-11-oxapentacyclo[8.6.0.02,14.04,9.012,16]hexadeca-4,6,8-trien-3-yl]oxy]prop-2-enoate

Drug info:

PubChemData

Smile

CC(CCC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)OC(=O)OC(C)(C)C

DOS

IR

Vibrations