Geometry & MOs

Info

ID:	357224
PubChem CID:	127293728
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	340.08987
ΔH_f, kcal/mol:	-50.86
Dipole, Da:	3.01
IP(EA), eV:	-8.47(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(1-cyclopropylpyrrolidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)CCC(=O)N3CCSC4=CC=CC=C43

DOS

IR

Vibrations