Geometry & MOs

Info

ID:	163410
PubChem CID:	57937117
Reduced:	ClON4H11C18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	263.131014
ΔH_f, kcal/mol:	81.54
Dipole, Da:	9.48
IP(EA), eV:	-8.76(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carbaldehyde

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C=C(C(=O)N3C4=CC(=NC=C4)Cl)C#N

DOS

IR

Vibrations