Geometry & MOs

Info

ID:	233251
PubChem CID:	89449510
Reduced:	SO2N7C19H23 (1)
Stoich.:	AB2C7D19E23 (1)
Weight, g/mol:	363.217144
ΔH_f, kcal/mol:	61.83
Dipole, Da:	5.08
IP(EA), eV:	-9.03(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-3-[4-[2-(ethylamino)-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrazol-1-yl]propanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations