Geometry & MOs

Info

ID:	253586
PubChem CID:	103119409
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-47.96
Dipole, Da:	5.45
IP(EA), eV:	-8.81(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-5-(1-methylpyrazole-3-carbonyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2CCC3=C(C2=O)C=C(C=C3)OC

DOS

IR

Vibrations