Geometry & MOs

Info

ID:	255167
PubChem CID:	103130488
Reduced:	ON2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	17.98
Dipole, Da:	5.58
IP(EA), eV:	-9.84(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclooctyl-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1(CC1)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations