Geometry & MOs

Info

ID:	221610
PubChem CID:	85285711
Reduced:	O5C36H46 (1)
Stoich.:	A5B36C46 (1)
Weight, g/mol:	558.418529
ΔH_f, kcal/mol:	-198.45
Dipole, Da:	5.1
IP(EA), eV:	-8.74(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis[1-(phenylmethoxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2OC4CCCCO4)CCC5=C3C=CC(=C5)OC6CCCCO6)C7=CC=C(C=C7)OC=C

DOS

IR

Vibrations