Geometry & MOs

Info

ID:	186845
PubChem CID:	77492811
Reduced:	F2N2O2H11C12 (2)
Stoich.:	A2B2C2D11E12 (2)
Weight, g/mol:	491.351178
ΔH_f, kcal/mol:	-288.07
Dipole, Da:	6.19
IP(EA), eV:	-8.9(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-2-yl]piperidin-4-yl]methylamino]cyclohexane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CC=C3C(=O)N(CCN3C2=O)C(C)COC4=C5C(COC5=C(C=C4)F)C(F)(F)F

DOS

IR

Vibrations