Geometry & MOs

Info

ID:	369401
PubChem CID:	127333121
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	95.6
Dipole, Da:	5.89
IP(EA), eV:	-9.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=CC=C(C=C3)N4C(=C(C=N4)C#N)N)O

DOS

IR

Vibrations