Geometry & MOs

Info

ID:	196747
PubChem CID:	78874162
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	339.11384
ΔH_f, kcal/mol:	-10.86
Dipole, Da:	3.39
IP(EA), eV:	-8.11(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations