Geometry & MOs

Info

ID:	233252
PubChem CID:	89449511
Reduced:	N7C20H25 (1)
Stoich.:	A7B20C25 (1)
Weight, g/mol:	393.191323
ΔH_f, kcal/mol:	115.6
Dipole, Da:	3.45
IP(EA), eV:	-8.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NN2C(=CC=C2C(=N1)C3=CN(N=C3)C(CC#N)C4CCCC4)C

DOS

IR

Vibrations