Geometry & MOs

Info

ID:	319576
PubChem CID:	126656696
Reduced:	PN6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	356.13146
ΔH_f, kcal/mol:	93.46
Dipole, Da:	6.74
IP(EA), eV:	-8.25(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-4-methyl-5-[[3-methyl-7-[methyl(methylphosphanyl)amino]benzimidazol-5-yl]amino]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1NC2=CC3=C(C(=C2)N(C)PC)N=CN3C)C#N

DOS

IR

Vibrations