Geometry & MOs

Info

ID:

401184

PubChem CID:

135050504

Reduced:

NSO3C20H31 (1)

Stoich.:

ABC3D20E31 (1)

Weight, g/mol:

505.330442

ΔHf, kcal/mol:

-149.91

Dipole, Da:

4.44

IP(EA), eV:

 -8.96(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S)-9-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl]-N-[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]methanimine

Drug info:

PubChemData

Smile

CCCCC[C@H]1[C@H](OC(=O)N1CSC(C)(C)C)C2=CC=C(C=C2)OC

DOS

IR

Vibrations