Geometry & MOs

Info

ID:

419586

PubChem CID:

135108481

Reduced:

N5O6C30H47 (1)

Stoich.:

A5B6C30D47 (1)

Weight, g/mol:

293.210327

ΔHf, kcal/mol:

-289.94

Dipole, Da:

5.74

IP(EA), eV:

 -8.97(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C(C)C)C(C)C

DOS

IR

Vibrations