Geometry & MOs

Info

ID:

379738

PubChem CID:

134463097

Reduced:

N13O30C54H93 (1)

Stoich.:

A13B30C54D93 (1)

Weight, g/mol:

377.142505

ΔHf, kcal/mol:

-1315.41

Dipole, Da:

13.82

IP(EA), eV:

 -8.82(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclopentyl-6-methyl-3-[(1S)-3,3,3-trifluoro-1-thiophen-2-ylpropyl]-1H-indole

Drug info:

PubChemData

Smile

C(CN(CCN(CCN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)CC(=O)O)CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations