Geometry & MOs

Info

ID:	80223
PubChem CID:	49833642
Reduced:	Cl2N3O5C31H33 (1)
Stoich.:	A2B3C5D31E33 (1)
Weight, g/mol:	480.125213
ΔH_f, kcal/mol:	-151.42
Dipole, Da:	6.36
IP(EA), eV:	-8.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl) 6-chloro-1-(3-fluoro-4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(C(C2=C1C3=C(N2)C=CC(=C3)Cl)C4=CC=C(C=C4)OCCCN(CCO)CCO)C(=O)OC5=CC=C(C=C5)Cl

DOS

IR

Vibrations