Geometry & MOs

Info

ID:	67164
PubChem CID:	46505987
Reduced:	O2N3C29H37 (1)
Stoich.:	A2B3C29D37 (1)
Weight, g/mol:	493.366828
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	1.54
IP(EA), eV:	-9.25(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-adamantyl)-N-[4-methyl-1-[2-(4-methylpiperidin-1-yl)ethylamino]-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C(CC(C)C)NC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations