Geometry & MOs

Info

ID:

165632

PubChem CID:

74578630

Reduced:

FN2O3C28H41 (1)

Stoich.:

AB2C3D28E41 (1)

Weight, g/mol:

453.320271

ΔHf, kcal/mol:

-228.75

Dipole, Da:

4.9

IP(EA), eV:

 -9.71(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-hydroxy-7-[(2-methoxyacetyl)amino]-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-(2-morpholin-4-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NC3CCCCC3)O)C)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations