Geometry & MOs

Info

ID:	243816
PubChem CID:	99239830
Reduced:	BrSO2N4C17H19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	409.07897
ΔH_f, kcal/mol:	11.86
Dipole, Da:	2.39
IP(EA), eV:	-9.1(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-(2,2-diphenylethyl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2)C(=O)NNC(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations