Geometry & MOs

Info

ID:	233266
PubChem CID:	89449573
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	393.202556
ΔH_f, kcal/mol:	-131.84
Dipole, Da:	1.78
IP(EA), eV:	-9.16(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-2-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide

Drug info:

PubChemData

Smile

CCC1=CC=C(N1NC(=C)NC(=O)OC)C(=O)OCC

DOS

IR

Vibrations