Geometry & MOs

Info

ID:	322141
PubChem CID:	126668853
Reduced:	INO3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-76.61
Dipole, Da:	9.63
IP(EA), eV:	-9.29(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,3aS,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]oxy]-N,5-dimethylcyclohepta-1,3,6-trien-1-amine

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)I)O

DOS

IR

Vibrations