Geometry & MOs

Info

ID:	31894
PubChem CID:	3722916
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	313.086956
ΔH_f, kcal/mol:	-82.18
Dipole, Da:	5.33
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(4-ethoxyphenyl)-7-methyl-1H-indole-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=O)N(N1C(=O)C)C2=CC=CC(=C2)NC(=O)C

DOS

IR

Vibrations