Geometry & MOs

Info

ID:	76991
PubChem CID:	48425675
Reduced:	BrSO2N3C17H20 (1)
Stoich.:	ABC2D3E17F20 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-42.27
Dipole, Da:	4.29
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[2-(diethylamino)-2-oxoethyl]-2-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)Br

DOS

IR

Vibrations