Geometry & MOs

Info

ID:	268431
PubChem CID:	103599343
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-69.78
Dipole, Da:	3.24
IP(EA), eV:	-8.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]but-2-enamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C=CC(=O)NCC(=O)NCCN3CCOCC3)C4=CC=CC=C41

DOS

IR

Vibrations