Geometry & MOs

Info

ID:	243804
PubChem CID:	99239737
Reduced:	BrFO2N3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	367.0354
ΔH_f, kcal/mol:	-48.81
Dipole, Da:	3.96
IP(EA), eV:	-8.85(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OC)F)NC(=O)C2=NNC(=C2Br)C3CC3

DOS

IR

Vibrations