Geometry & MOs

Info

ID:	73836
PubChem CID:	48420653
Reduced:	N3O3H23C25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	373.122655
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	4.4
IP(EA), eV:	-9.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 1-(4-fluorophenyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations