Geometry & MOs

Info

ID:	340510
PubChem CID:	127262521
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	255.08079
ΔH_f, kcal/mol:	-66.74
Dipole, Da:	1.67
IP(EA), eV:	-9.29(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(4-fluorophenyl)-5-pyrrol-2-ylidene-1H-pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)O)OC(=O)C2=CC=NN2

DOS

IR

Vibrations