Geometry & MOs

Info

ID:	255390
PubChem CID:	103131713
Reduced:	ON2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	-13.6
Dipole, Da:	5.03
IP(EA), eV:	-9.21(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-3-yl)cycloheptan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2CCCCC2=O

DOS

IR

Vibrations