Geometry & MOs

Info

ID:	21996
PubChem CID:	594654
Reduced:	OCl2N2H12C17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	330.032668
ΔH_f, kcal/mol:	43.86
Dipole, Da:	3.92
IP(EA), eV:	-9.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2C=O)CC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations