Geometry & MOs

Info

ID:	233080
PubChem CID:	87692391
Reduced:	ON2F3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	515.123895
ΔH_f, kcal/mol:	-111.03
Dipole, Da:	1.74
IP(EA), eV:	-9.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[6-amino-8-(3-pyridin-3-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1C(C(=O)NC=N1)C2=C(C(=CC(=C2F)F)C3=CC=CC=C3)F

DOS

IR

Vibrations