Geometry & MOs

Info

ID:

315291

PubChem CID:

126625438

Reduced:

NOH12C14 (2)

Stoich.:

ABC12D14 (2)

Weight, g/mol:

834.39925

ΔHf, kcal/mol:

121.99

Dipole, Da:

10.65

IP(EA), eV:

 -7.95(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-benzylpiperidin-4-yl)methyl 2-[3-[[1-[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]benzoyl]azetidin-3-yl]methoxy]phenyl]-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C)C=CCC2)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=C5C#CC=C6)C)C

DOS

IR

Vibrations