Geometry & MOs

Info

ID:	181547
PubChem CID:	76760603
Reduced:	OF3N6C24H27 (1)
Stoich.:	AB3C6D24E27 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-137.39
Dipole, Da:	5.04
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(5-carbamoyl-2-adamantyl)acetate

Drug info:

PubChemData

Smile

C1C2CC3CC(C2)(CC1C3N)CNC4=NC(=NC=C4C#N)NCC5=CC=CC=C5OC(F)(F)F

DOS

IR

Vibrations