Geometry & MOs

Info

ID:	80143
PubChem CID:	49833229
Reduced:	N2Cl3O5H21C31 (1)
Stoich.:	A2B3C5D21E31 (1)
Weight, g/mol:	494.080013
ΔH_f, kcal/mol:	-104.9
Dipole, Da:	2.98
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 6-chloro-1-(4-methoxycarbonylphenyl)-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)OC(=O)OC5=CC=C(C=C5)Cl)C(=O)OC6=CC=C(C=C6)Cl

DOS

IR

Vibrations