Geometry & MOs

Info

ID:	84824
PubChem CID:	49870182
Reduced:	FON2H11C12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	454.167728
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	3.39
IP(EA), eV:	-8.21(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(6-methoxypyridin-3-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CN1C2=C(CNCCC2)C3=C1C=C(C=C3)N4C=CC(=CC4=O)OCC5=C(C=C(C=N5)F)F

DOS

IR

Vibrations