Geometry & MOs

Info

ID:	393774
PubChem CID:	135021672
Reduced:	SiN2C25H32 (1)
Stoich.:	AB2C25D32 (1)
Weight, g/mol:	232.15137
ΔH_f, kcal/mol:	49.14
Dipole, Da:	3.35
IP(EA), eV:	-8.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-1-acetyl-4,5,6,7-tetradeuterio-3-methyl-2H-indol-3-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C#C[Si](C(C)C)(C(C)C)C(C)C)C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations