Geometry & MOs

Info

ID:	184700
PubChem CID:	77194823
Reduced:	N2O3C25H44 (1)
Stoich.:	A2B3C25D44 (1)
Weight, g/mol:	363.31373
ΔH_f, kcal/mol:	-165.48
Dipole, Da:	4.77
IP(EA), eV:	-8.69(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2,2-dimethylpropylamino)methyl]-1-methylidene-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl]-4-methylcyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CC(CNCC1C2CCC(=C)C2CCC1C3(CCC(CC3O)O)C)N4CCOCC4

DOS

IR

Vibrations