Geometry & MOs

Info

ID:

164337

PubChem CID:

74383024

Reduced:

N12O13C59H106 (1)

Stoich.:

A12B13C59D106 (1)

Weight, g/mol:

480.153988

ΔHf, kcal/mol:

-602.43

Dipole, Da:

19.8

IP(EA), eV:

 -8.85(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]-4aH-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

CCCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)C)CN)C)CC(C)C)C)C(C)C)CC(C)(C)O)C)C

DOS

IR

Vibrations