Geometry & MOs

Info

ID:

416405

PubChem CID:

135089418

Reduced:

N5O5C30H43 (1)

Stoich.:

A5B5C30D43 (1)

Weight, g/mol:

380.221226

ΔHf, kcal/mol:

-219.42

Dipole, Da:

9.02

IP(EA), eV:

 -9.38(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(=O)C3CC=CC3

DOS

IR

Vibrations