Geometry & MOs

Info

ID:	426989
PubChem CID:	135154876
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	252.071034
ΔH_f, kcal/mol:	-70.88
Dipole, Da:	3.42
IP(EA), eV:	-8.72(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(CCNC2=O)N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC

DOS

IR

Vibrations