Geometry & MOs

Info

ID:	233250
PubChem CID:	89449509
Reduced:	ON7C20H25 (1)
Stoich.:	AB7C20D25 (1)
Weight, g/mol:	413.163394
ΔH_f, kcal/mol:	75.9
Dipole, Da:	4.81
IP(EA), eV:	-8.51(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-7-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methanesulfonimidic acid

Drug info:

PubChemData

Smile

CC1=CC=C2N1N=C(N=C2C3=CN(N=C3)C(CC#N)C4CCCC4)NCCO

DOS

IR

Vibrations