Geometry & MOs

Info

ID:

187150

PubChem CID:

77536034

Reduced:

N5O5C19H23 (1)

Stoich.:

A5B5C19D23 (1)

Weight, g/mol:

566.358054

ΔHf, kcal/mol:

-168.26

Dipole, Da:

8.86

IP(EA), eV:

 -9.55(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f][2,1]benzoxazin-1-yl)-N-[6-(2-morpholin-4-ylethylcarbamoylamino)pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2CC(CN(C2)C(=O)O)NC(=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations