Geometry & MOs

Info

ID:	84627
PubChem CID:	49868798
Reduced:	OF3N3H24C27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	410.141513
ΔH_f, kcal/mol:	-122.58
Dipole, Da:	7.73
IP(EA), eV:	-8.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-pyrimidin-5-yl-1,3,5-triazin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)N3C=CC(=CC3=O)C4=CC=C(C=C4)C(F)(F)F)C5=C1C6CCN(C5)CC6

DOS

IR

Vibrations