Geometry & MOs

Info

ID:	403374
PubChem CID:	135059916
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	320.071641
ΔH_f, kcal/mol:	-86.46
Dipole, Da:	3.67
IP(EA), eV:	-8.21(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-benzyl-6-chloropyrido[2,3-b]indole-2-carbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)N1C2=CC=CC=C2/C(=C/C(=CN3CCOCC3)C4=CC=CC=C4)/C1=O

DOS

IR

Vibrations