Geometry & MOs

Info

ID:	144657
PubChem CID:	53394309
Reduced:	P3O19C25H46 (1)
Stoich.:	A3B19C25D46 (1)
Weight, g/mol:	340.219913
ΔH_f, kcal/mol:	-893.73
Dipole, Da:	7.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.789526
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-1-(2,4,5,6,7-pentadeuterio-1-pentylindol-3-yl)ethanone

Drug info:

PubChemData

Smile

CCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)OP(=O)(O)[O-])OP(=O)(O)[O-])O)O)OC(=O)CCCCCCC

DOS

IR

Vibrations