Geometry & MOs

Info

ID:

184971

PubChem CID:

77236145

Reduced:

SN8O12C36H70 (1)

Stoich.:

AB8C12D36E70 (1)

Weight, g/mol:

472.187733

ΔHf, kcal/mol:

-602.0

Dipole, Da:

8.74

IP(EA), eV:

 -9.37(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-3aH-1,2-benzoxazol-6-one;hydrochloride

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)N.CSCCC(C(=O)O)N.C1CC(NC1)C(=O)O.C1=CC=C(C=C1)CC(C(=O)O)N.C(CCN)CC(C(=O)O)N.C(CC(C(=O)O)N)CN

DOS

IR

Vibrations