Geometry & MOs

Info

ID:	233249
PubChem CID:	89449504
Reduced:	N7C18H21 (1)
Stoich.:	A7B18C21 (1)
Weight, g/mol:	379.212058
ΔH_f, kcal/mol:	123.42
Dipole, Da:	3.92
IP(EA), eV:	-8.43(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-3-[4-[2-(2-hydroxyethylamino)-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)N

DOS

IR

Vibrations