Geometry & MOs

Info

ID:	322223
PubChem CID:	126669247
Reduced:	ClN3C22H28 (1)
Stoich.:	AB3C22D28 (1)
Weight, g/mol:	200.131349
ΔH_f, kcal/mol:	39.77
Dipole, Da:	1.82
IP(EA), eV:	-8.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-(4-ethylphenyl)pyrazole

Drug info:

PubChemData

Smile

CN1CC(N(CC2=CC=CC=C21)C3CCNCC3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations