Geometry & MOs

Info

ID:	216951
PubChem CID:	85087026
Reduced:	O3C20H30 (1)
Stoich.:	A3B20C30 (1)
Weight, g/mol:	318.209599
ΔH_f, kcal/mol:	-62.52
Dipole, Da:	4.94
IP(EA), eV:	-9.75(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octan-8-imine

Drug info:

PubChemData

Smile

CC1(CCCC2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)C)C

DOS

IR

Vibrations