Geometry & MOs

Info

ID:	38438
PubChem CID:	8060880
Reduced:	FNSO3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-156.1
Dipole, Da:	5.42
IP(EA), eV:	-9.53(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibenzyl-2-ethyl-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N([C@@H](S1)C2=CC=CC=C2F)CC(=O)O

DOS

IR

Vibrations