Geometry & MOs

Info

ID:	264283
PubChem CID:	103450411
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-8.96
Dipole, Da:	2.11
IP(EA), eV:	-9.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohepten-1-yl-(4-methoxy-2-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Cl)C(=O)C2=CCCCCC2

DOS

IR

Vibrations