Geometry & MOs

Info

ID:	404623
PubChem CID:	135067963
Reduced:	O3N6C22H32 (1)
Stoich.:	A3B6C22D32 (1)
Weight, g/mol:	458.293328
ΔH_f, kcal/mol:	-81.42
Dipole, Da:	6.97
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1NC(CNC(=O)OC(C)(C)C)C2=NN=NN2C3CCCCC3

DOS

IR

Vibrations