Geometry & MOs

Info

ID:	255357
PubChem CID:	103131576
Reduced:	ON2H10C11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	38.7
Dipole, Da:	5.47
IP(EA), eV:	-9.22(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=CC=CC=C2C=O

DOS

IR

Vibrations