Geometry & MOs

Info

ID:

416913

PubChem CID:

135090777

Reduced:

N3O3C18H26 (2)

Stoich.:

A3B3C18D26 (2)

Weight, g/mol:

352.178693

ΔHf, kcal/mol:

-249.25

Dipole, Da:

8.31

IP(EA), eV:

 -8.9(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-methoxy-5-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine

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)C3=CC=C(C=C3)CN(C)C)C(C)C

DOS

IR

Vibrations