Geometry & MOs

Info

ID:	369039
PubChem CID:	127331161
Reduced:	O3N6C18H26 (1)
Stoich.:	A3B6C18D26 (1)
Weight, g/mol:	333.18009
ΔH_f, kcal/mol:	-92.35
Dipole, Da:	6.04
IP(EA), eV:	-8.66(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)N3CCC(CC3)N4CCCC4=O

DOS

IR

Vibrations