Geometry & MOs

Info

ID:	156003
PubChem CID:	56368730
Reduced:	BrFO2N3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	447.00977
ΔH_f, kcal/mol:	-64.61
Dipole, Da:	2.09
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)F)Br

DOS

IR

Vibrations