Geometry & MOs

Info

ID:	233248
PubChem CID:	89449501
Reduced:	SO2N6C18H24 (1)
Stoich.:	AB2C6D18E24 (1)
Weight, g/mol:	335.185844
ΔH_f, kcal/mol:	9.45
Dipole, Da:	8.05
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-amino-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile

Drug info:

PubChemData

Smile

CCC(C1CCCC1)N2C=C(C=N2)C3=NC(=NN4C3=CC=C4)NS(=O)(=O)C

DOS

IR

Vibrations