Geometry & MOs

Info

ID:

228697

PubChem CID:

87565562

Reduced:

SCl2O2N13C46H47 (1)

Stoich.:

AB2C2D13E46F47 (1)

Weight, g/mol:

500.218546

ΔHf, kcal/mol:

174.15

Dipole, Da:

4.43

IP(EA), eV:

 -8.64(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-methyl-4-[3-[2-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]morpholin-4-ium-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(C(=O)C(C=O)(N2CCN(CC2)C3=C(C=C(C=C3)Cl)C4=CN=C(N=C4)NC)N5C=CC6=C5N=CC=C6)N7CCN(CC7)C8=C(C=C(C=C8)Cl)C9=CN=C(N=C9)SC)C

DOS

IR

Vibrations