Geometry & MOs

Info

ID:	196742
PubChem CID:	78873309
Reduced:	ClN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-86.92
Dipole, Da:	10.26
IP(EA), eV:	-8.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-5-ethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)CC2=CNC3=C2C=C(C=C3)OC)Cl

DOS

IR

Vibrations