Geometry & MOs

Info

ID:	255642
PubChem CID:	103133660
Reduced:	ClN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	178.110613
ΔH_f, kcal/mol:	-12.11
Dipole, Da:	5.12
IP(EA), eV:	-9.16(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-1-(1-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=C(C=C(C=C2)Cl)OC

DOS

IR

Vibrations