Geometry & MOs

Info

ID:	429671
PubChem CID:	135169721
Reduced:	ON4H28C45 (1)
Stoich.:	AB4C28D45 (1)
Weight, g/mol:	235.087625
ΔH_f, kcal/mol:	210.57
Dipole, Da:	1.78
IP(EA), eV:	-8.32(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(4-ethylpyrazol-1-yl)-N-methylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=CC(=N3)N4C5=CC6=CC=CC=C6C=C5C7=C4C8=C(C=C7)N=C(O8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations