Geometry & MOs

Info

ID:	184926
PubChem CID:	77230011
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	255.021769
ΔH_f, kcal/mol:	-46.73
Dipole, Da:	3.13
IP(EA), eV:	-8.94(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dichloro-1-propan-2-ylindole-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C2=NC=CN2C(=O)OC3CCC3)C

DOS

IR

Vibrations