Geometry & MOs

Info

ID:	369396
PubChem CID:	127333022
Reduced:	ClO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	294.194343
ΔH_f, kcal/mol:	-72.86
Dipole, Da:	4.94
IP(EA), eV:	-9.01(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]azocan-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)CC(=O)N3C4CCC3CC(C4)O)C)Cl

DOS

IR

Vibrations