Geometry & MOs

Info

ID:	393619
PubChem CID:	135021284
Reduced:	ClN5H16C22 (1)
Stoich.:	AB5C16D22 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	155.23
Dipole, Da:	2.62
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-1-acetyl-3-methyl-2H-indol-3-yl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN(N=N2)CC3=C(N=C4N3C=CC=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations