Geometry & MOs

Info

ID:	289684
PubChem CID:	104366884
Reduced:	OSN2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	225.996762
ΔH_f, kcal/mol:	22.84
Dipole, Da:	2.54
IP(EA), eV:	-9.14(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-methylpyrazol-1-yl)thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(N(C=N1)C2=CC=C(S2)C=O)C

DOS

IR

Vibrations