Geometry & MOs

Info

ID:	83794
PubChem CID:	49861437
Reduced:	FN7C13H26 (1)
Stoich.:	AB7C13D26 (1)
Weight, g/mol:	631.368879
ΔH_f, kcal/mol:	21.7
Dipole, Da:	6.73
IP(EA), eV:	-8.62(1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-1-[2-[1-(2,4-dimethoxycyclohexyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl]ethylsulfonyl]piperidin-4-amine

Drug info:

PubChemData

Smile

C1CC(C(NC1)F)C2CCC3C(C2)C(NN3)C4NNNN4

DOS

IR

Vibrations