Geometry & MOs

Info

ID:	255355
PubChem CID:	103131564
Reduced:	NC4H5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	50.68
Dipole, Da:	2.24
IP(EA), eV:	-7.92(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=NN(C=C2)C)N

DOS

IR

Vibrations