Geometry & MOs

Info

ID:

181833

PubChem CID:

76800366

Reduced:

NO3C16H23 (2)

Stoich.:

AB3C16D23 (2)

Weight, g/mol:

476.278741

ΔHf, kcal/mol:

-256.6

Dipole, Da:

5.95

IP(EA), eV:

 -8.53(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2'-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one

Drug info:

PubChemData

Smile

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2O)C1)CCC=C)O)C)C)OC(=O)N)C)C)O)C

DOS

IR

Vibrations