Geometry & MOs

Info

ID:	353482
PubChem CID:	127285041
Reduced:	FSO2N3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	396.11609
ΔH_f, kcal/mol:	-82.64
Dipole, Da:	4.37
IP(EA), eV:	-8.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2(CCOCC2)CNC(=O)C3=CSC(=N3)C4=CC=CC=C4F

DOS

IR

Vibrations