Geometry & MOs

Info

ID:	144583
PubChem CID:	53386857
Reduced:	NOH23C30 (1)
Stoich.:	ABC23D30 (1)
Weight, g/mol:	335.107692
ΔH_f, kcal/mol:	106.93
Dipole, Da:	2.81
IP(EA), eV:	-8.68(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(6-phenylhex-5-ynyl)indole-3-carbaldehyde

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C(C#CC3=CC=CC=C3)C4=CC=CC=C4)N(C1=O)CC5=CC=CC=C5

DOS

IR

Vibrations