Geometry & MOs

Info

ID:	59285
PubChem CID:	24775898
Reduced:	BrFN2O4C24H24 (1)
Stoich.:	ABC2D4E24F24 (1)
Weight, g/mol:	401.133969
ΔH_f, kcal/mol:	-172.75
Dipole, Da:	4.93
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[6-(2-methyl-5-pyridin-2-ylphenyl)pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1[C@]2(CCC(=O)NC2=O)C3=CC=CC(=C3)C(=O)O)CC4=CC(=C(C=C4)Br)F

DOS

IR

Vibrations