Geometry & MOs

Info

ID:

439721

PubChem CID:

135229524

Reduced:

NO2H43C66 (1)

Stoich.:

AB2C43D66 (1)

Weight, g/mol:

567.221259

ΔHf, kcal/mol:

193.55

Dipole, Da:

2.01

IP(EA), eV:

 -8.01(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-11-(2-chloro-3,6-difluorobenzoyl)-6,7,8,9,10,11-hexahydro-5H-pyrazino[2,3-b]azonine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)C7(C8=C(C9=CC=CC=C9C=C8)OC1=C7C=CC2=CC=CC=C21)C1=CC=CC=C16)C1=C2C3=CC=CC=C3OC2=CC=C1)C

DOS

IR

Vibrations