Geometry & MOs

Info

ID:	67162
PubChem CID:	46505984
Reduced:	ON2C17H18 (2)
Stoich.:	AB2C17D18 (2)
Weight, g/mol:	459.288577
ΔH_f, kcal/mol:	-23.37
Dipole, Da:	6.17
IP(EA), eV:	-8.72(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-adamantyl)-N-[4-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NCC7=CN=CC=C7

DOS

IR

Vibrations