Geometry & MOs

Info

ID:

80281

PubChem CID:

49833830

Reduced:

Cl2N3O4H21C26 (1)

Stoich.:

A2B3C4D21E26 (1)

Weight, g/mol:

594.168828

ΔHf, kcal/mol:

-91.28

Dipole, Da:

0.68

IP(EA), eV:

 -8.82(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-chlorophenyl) (1S)-6-chloro-1-[4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methoxy]phenyl]-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)OCC(=O)N)C(=O)OC5=CC=CC=C5Cl

DOS

IR

Vibrations