Geometry & MOs

Info

ID:	156200
PubChem CID:	56369495
Reduced:	BrO2F3N3C15H15 (1)
Stoich.:	AB2C3D3E15F15 (1)
Weight, g/mol:	380.98797
ΔH_f, kcal/mol:	-190.1
Dipole, Da:	3.51
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(3-carbamoylphenyl)methyl]-2-chloro-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=C(N=CC=C2)OCC(F)(F)F)Br

DOS

IR

Vibrations