Geometry & MOs

Info

ID:	67163
PubChem CID:	46505985
Reduced:	O2N3C29H37 (1)
Stoich.:	A2B3C29D37 (1)
Weight, g/mol:	459.288577
ΔH_f, kcal/mol:	-81.95
Dipole, Da:	4.42
IP(EA), eV:	-9.65(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-adamantyl)-N-[4-methyl-1-[(6-methylpyridin-2-yl)amino]-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC1=CC=CC=N1)NC(=O)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations