Geometry & MOs

Info

ID:	405042
PubChem CID:	135072262
Reduced:	NSO3C16H16 (2)
Stoich.:	ABC3D16E16 (2)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-76.01
Dipole, Da:	2.95
IP(EA), eV:	-8.51(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-methylindol-3-yl)propan-2-yl]-2-oxocyclohexane-1-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=NC2=CC=CC=C2SSC3=CC=CC=C3N=CC4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations