Geometry & MOs

Info

ID:	421524
PubChem CID:	135116163
Reduced:	N3O7C31H35 (1)
Stoich.:	A3B7C31D35 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	-186.12
Dipole, Da:	3.33
IP(EA), eV:	-8.33(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CCN1C=CC(=CC1=O)C(=O)N2CCOCCOC3=CC=C(C=C3)C4C5=CC(=C(C=C5CCN4C(=O)C2)OC)OC

DOS

IR

Vibrations