Geometry & MOs

Info

ID:	403347
PubChem CID:	135059823
Reduced:	ClO2N3H16C23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	13.66
Dipole, Da:	1.22
IP(EA), eV:	-8.69(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(9-methylpyrido[2,3-b]indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C2C3=CC=CC=C3NC2=C(N=C1C(=O)OC)C4=NC5=C(C=CC(=C5)Cl)C=C4

DOS

IR

Vibrations