Geometry & MOs

Info

ID:	155616
PubChem CID:	56366321
Reduced:	BrF2N2O2H15C17 (1)
Stoich.:	AB2C2D2E15F17 (1)
Weight, g/mol:	413.04874
ΔH_f, kcal/mol:	-143.32
Dipole, Da:	5.88
IP(EA), eV:	-9.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)CCC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations