Geometry & MOs

Info

ID:

415722

PubChem CID:

135088722

Reduced:

O5N7C33H49 (1)

Stoich.:

A5B7C33D49 (1)

Weight, g/mol:

349.142641

ΔHf, kcal/mol:

-210.83

Dipole, Da:

7.84

IP(EA), eV:

 -8.94(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraen-9-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)CCC3=C(N(N=C3C)C)C)C(C)C

DOS

IR

Vibrations