Geometry & MOs

Info

ID:	445839
PubChem CID:	135269739
Reduced:	O3C17H30 (1)
Stoich.:	A3B17C30 (1)
Weight, g/mol:	524.50695
ΔH_f, kcal/mol:	-162.34
Dipole, Da:	2.21
IP(EA), eV:	-8.76(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-butylcyclohexyl)but-1-en-2-yl]-1,5-dimethyl-6-[4-(4-propylcyclohexyl)but-1-en-2-yl]-6-azabicyclo[3.2.1]octan-3-amine

Drug info:

PubChemData

Smile

CCCCCCCCCC1CC=C(C=C1)OC(CO)O

DOS

IR

Vibrations