Geometry & MOs

Info

ID:	83845
PubChem CID:	49861728
Reduced:	BrFN2O3C21H36 (1)
Stoich.:	ABC2D3E21F36 (1)
Weight, g/mol:	432.419198
ΔH_f, kcal/mol:	-223.35
Dipole, Da:	7.07
IP(EA), eV:	-9.12(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclohexyl-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-5-propyldiazinan-3-amine

Drug info:

PubChemData

Smile

COC1CC(CC(C1OC)C(=O)NC[C@@H]2CCCN2CC3CCC(CC3)F)Br

DOS

IR

Vibrations