Geometry & MOs

Info

ID:

80183

PubChem CID:

49833430

Reduced:

Cl2O2N3H25C28 (1)

Stoich.:

A2B2C3D25E28 (1)

Weight, g/mol:

577.12836

ΔHf, kcal/mol:

-13.95

Dipole, Da:

4.64

IP(EA), eV:

 -8.21(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)C3C4=C(CCN3C(=O)OC5=CC=C(C=C5)Cl)C6=C(N4)C=CC(=C6)Cl

DOS

IR

Vibrations