Geometry & MOs

Info

ID:	77527
PubChem CID:	49649986
Reduced:	SN2O3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	-11.36
Dipole, Da:	9.09
IP(EA), eV:	-9.28(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclobutanecarbonyl)-4-(2-methylindol-1-yl)-3-oxobutanenitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)C(C#N)C(=O)C3CCC3

DOS

IR

Vibrations