Geometry & MOs

Info

ID:

449578

PubChem CID:

135299798

Reduced:

N2O3C16H20 (1)

Stoich.:

A2B3C16D20 (1)

Weight, g/mol:

364.308979

ΔHf, kcal/mol:

-132.34

Dipole, Da:

3.62

IP(EA), eV:

 -8.57(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,8aR)-8-[2-[(3S,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]-2-methylpropyl]-3-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)N2C(=O)CC(C2=O)C(C)C

DOS

IR

Vibrations