Geometry & MOs

Info

ID:

164276

PubChem CID:

74382690

Reduced:

NO8C29H45 (2)

Stoich.:

AB8C29D45 (2)

Weight, g/mol:

303.194677

ΔHf, kcal/mol:

-618.81

Dipole, Da:

11.09

IP(EA), eV:

 -8.51(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]spiro[2.3]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCOC(=O)CN5CCOCC5)C)C)O)OC)C)C)C)OC

DOS

IR

Vibrations