Geometry & MOs

Info

ID:	268179
PubChem CID:	103598237
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	337.09819
ΔH_f, kcal/mol:	-30.99
Dipole, Da:	2.3
IP(EA), eV:	-9.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridin-3-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC=NC=C2

DOS

IR

Vibrations