Geometry & MOs

Info

ID:

124915

PubChem CID:

50903228

Reduced:

O3N6C31H40 (1)

Stoich.:

A3B6C31D40 (1)

Weight, g/mol:

507.273321

ΔHf, kcal/mol:

-57.73

Dipole, Da:

6.16

IP(EA), eV:

 -8.14(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(1S,2S)-2-[[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]cyclohexyl]methyl]-8,9-dihydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C3=C(CCC4=CC(=C(C=C43)NC(=O)CN5CCNCC5)OC)C(=N2)C(=O)N(C)C(C)(C)C

DOS

IR

Vibrations