Geometry & MOs

Info

ID:	43315
PubChem CID:	10321112
Reduced:	N5H8C10 (2)
Stoich.:	A5B8C10 (2)
Weight, g/mol:	442.136508
ΔH_f, kcal/mol:	238.81
Dipole, Da:	3.41
IP(EA), eV:	-8.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-cyano-6-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1-hydroxypyridin-2-yl]-N-[(3-fluoropyridin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NNN=N2)NC3=CC=CC=C3NC4=CC=CC=C4C5=NNN=N5

DOS

IR

Vibrations