Geometry & MOs

Info

ID:	165631
PubChem CID:	74578629
Reduced:	FNO3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	472.310121
ΔH_f, kcal/mol:	-187.67
Dipole, Da:	6.72
IP(EA), eV:	-9.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-[1-(cyclohexylamino)-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1C(CCC2(C1C3C(CC2)C(C(=O)O3)C)C)NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations