Geometry & MOs

Info

ID:

80236

PubChem CID:

49833678

Reduced:

FO3N5H26C28 (1)

Stoich.:

AB3C5D26E28 (1)

Weight, g/mol:

466.212867

ΔHf, kcal/mol:

-59.79

Dipole, Da:

8.96

IP(EA), eV:

 -9.08(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[4-[4-(fluoromethyl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1H-imidazo[4,5-b]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=N2)C3=CC4=C(C=C3)OCCN(C4)C(=O)N5CCC(=O)CC5C6=CC(=CC=C6)F

DOS

IR

Vibrations