Geometry & MOs

Info

ID:	255356
PubChem CID:	103131567
Reduced:	ClON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	186.079313
ΔH_f, kcal/mol:	29.6
Dipole, Da:	6.7
IP(EA), eV:	-9.29(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-3-yl)benzaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations