Geometry & MOs

Info

ID:

418646

PubChem CID:

135106497

Reduced:

SO5N9C30H39 (1)

Stoich.:

AB5C9D30E39 (1)

Weight, g/mol:

348.204907

ΔHf, kcal/mol:

-123.16

Dipole, Da:

5.8

IP(EA), eV:

 -8.87(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

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)CCSC)C(C)C)C(=O)C2=NN3C=CC=NC3=N2)CC4=CC=CC=C4

DOS

IR

Vibrations