Geometry & MOs

Info

ID:	84663
PubChem CID:	49869211
Reduced:	OF3N5H20C23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	428.152078
ΔH_f, kcal/mol:	-96.48
Dipole, Da:	7.55
IP(EA), eV:	-8.44(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(CNCCC2)C3=C1C=C(C=C3)N4C=CC(=CC4=O)C5=CN=C(N=C5)C(F)(F)F

DOS

IR

Vibrations