Geometry & MOs

Info

ID:	80359
PubChem CID:	49834152
Reduced:	BrN3O4C26H34 (1)
Stoich.:	AB3C4D26E34 (1)
Weight, g/mol:	494.03967
ΔH_f, kcal/mol:	-142.02
Dipole, Da:	8.16
IP(EA), eV:	-8.87(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 6-bromo-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCNC(=O)[C@@H]1[C@H]2C=C[C@H]([C@H]1C(=O)NC3=CC=C(C=C3)Br)C24CC4

DOS

IR

Vibrations