Geometry & MOs

Info

ID:	347559
PubChem CID:	127272414
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	363.252192
ΔH_f, kcal/mol:	69.97
Dipole, Da:	3.59
IP(EA), eV:	-8.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylcarbamoyl)-2-[methyl(oxolan-2-ylmethyl)amino]propanamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)N3CCC(CC3)C4=NC(=NO4)C5=CC=CC=N5

DOS

IR

Vibrations