Geometry & MOs

Info

ID:	196746
PubChem CID:	78874161
Reduced:	FON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-12.94
Dipole, Da:	5.7
IP(EA), eV:	-8.76(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(4-ethoxyphenyl)-5-ethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations