Geometry & MOs

Info

ID:	373875
PubChem CID:	131320931
Reduced:	SN2O3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	220.051574
ΔH_f, kcal/mol:	-47.17
Dipole, Da:	3.96
IP(EA), eV:	-9.63(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1=NSC=C1C2=CC=NC(=O)C2C(=O)O

DOS

IR

Vibrations