Geometry & MOs

Info

ID:	196730
PubChem CID:	78870939
Reduced:	ClFSO2N4C19H20 (1)
Stoich.:	ABCD2E4F19G20 (1)
Weight, g/mol:	294.241962
ΔH_f, kcal/mol:	-52.79
Dipole, Da:	4.47
IP(EA), eV:	-8.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-4-methylpentyl]-5-ethyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)F)CC3=CN4C=C(C=CC4=N3)Cl

DOS

IR

Vibrations