Geometry & MOs

Info

ID:	16838
PubChem CID:	477271
Reduced:	N3C29H51 (1)
Stoich.:	A3B29C51 (1)
Weight, g/mol:	441.408299
ΔH_f, kcal/mol:	-56.19
Dipole, Da:	3.85
IP(EA), eV:	-8.59(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-7-[(4-tert-butylcyclohexyl)methyl]-6-cyclohexyl-3-(cyclohexylmethyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)CN2[C@@H](CN3C2=NC[C@H]3CC4CCCCC4)C5CCCCC5

DOS

IR

Vibrations