Geometry & MOs

Info

ID:	81770
PubChem CID:	49855126
Reduced:	Cl2N3O4C29H35 (1)
Stoich.:	A2B3C4D29E35 (1)
Weight, g/mol:	313.121512
ΔH_f, kcal/mol:	-147.62
Dipole, Da:	5.04
IP(EA), eV:	-8.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9H-pyrido[3,4-b]indol-1-ylmethyl)-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)OCN2C(=O)CCC3=C2C=C(C=C3)OCCCCN4CCN(CC4)C5=C(C(=CC=C5)Cl)Cl

DOS

IR

Vibrations