Geometry & MOs

Info

ID:

446602

PubChem CID:

135276310

Reduced:

O3N7C25H37 (1)

Stoich.:

A3B7C25D37 (1)

Weight, g/mol:

527.322003

ΔHf, kcal/mol:

-91.04

Dipole, Da:

3.75

IP(EA), eV:

 -8.59(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-(2,2-dimethylpropanoylamino)-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)OC)N=C2NCCCCNC(=O)[C@H](C(C)C)NC(=O)CC(C)C

DOS

IR

Vibrations