Geometry & MOs

Info

ID:

238518

PubChem CID:

92741709

Reduced:

N4O5C26H32 (1)

Stoich.:

A4B5C26D32 (1)

Weight, g/mol:

484.26857

ΔHf, kcal/mol:

-162.9

Dipole, Da:

3.09

IP(EA), eV:

 -7.84(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-10-acetamido-8-methoxy-3-methyl-N-(3-methylbutyl)-1-oxo-2-[[(2R)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@@]1(CN2C3=C(C=C(C=C3)OC)C(=C2C(=O)N1CC4=CC=CO4)NC(=O)C)C

DOS

IR

Vibrations