Geometry & MOs

Info

ID:	80484
PubChem CID:	49834692
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	561.133445
ΔH_f, kcal/mol:	-65.75
Dipole, Da:	3.6
IP(EA), eV:	-8.77(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 6-chloro-1-[4-[3-(triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)CCCCNC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)NCC4=CC=CO4)C35CC5

DOS

IR

Vibrations