Geometry & MOs

Info

ID:	404620
PubChem CID:	135067954
Reduced:	F3O3H17C22 (1)
Stoich.:	A3B3C17D22 (1)
Weight, g/mol:	394.144806
ΔH_f, kcal/mol:	-205.19
Dipole, Da:	5.9
IP(EA), eV:	-8.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-[(1R)-3-chloro-1-methyl-2-oxonaphthalen-1-yl]cyclohexyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC2=CC=CC=C21)OC/C=C/C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations