Geometry & MOs

Info

ID:	353224
PubChem CID:	127284404
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	3.52
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C)CC(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3)C

DOS

IR

Vibrations