Geometry & MOs

Info

ID:	353210
PubChem CID:	127284390
Reduced:	O3N6C19H20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-38.0
Dipole, Da:	2.95
IP(EA), eV:	-9.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(9-oxobicyclo[3.3.1]nonane-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCN(CC3)C(=O)C4=CNC(=O)C=C4)C

DOS

IR

Vibrations