Geometry & MOs

Info

ID:	192853
PubChem CID:	78321288
Reduced:	NOF3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	476.199445
ΔH_f, kcal/mol:	-161.23
Dipole, Da:	1.34
IP(EA), eV:	-8.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[4-(cyclohexylmethylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridin-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC12C3=CC=CC=C3CO2)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations