Geometry & MOs

Info

ID:	77315
PubChem CID:	48426050
Reduced:	ClN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-98.09
Dipole, Da:	0.93
IP(EA), eV:	-9.24(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-2-(1-phenylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations