Geometry & MOs

Info

ID:	184979
PubChem CID:	77236603
Reduced:	ON6C18H32 (1)
Stoich.:	AB6C18D32 (1)
Weight, g/mol:	504.335193
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	4.77
IP(EA), eV:	-8.17(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-hydroxy-N-[2-[3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylbutanamide

Drug info:

PubChemData

Smile

CCCC(C)OC1=NC(=C2C(=N1)N(CN2)CCCN3CCCCC3)N

DOS

IR

Vibrations