Geometry & MOs

Info

ID:	395146
PubChem CID:	135024742
Reduced:	ClNSi2O4C28H56 (1)
Stoich.:	ABC2D4E28F56 (1)
Weight, g/mol:	426.09429
ΔH_f, kcal/mol:	-334.57
Dipole, Da:	5.24
IP(EA), eV:	-8.79(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,3S)-2-(2-bromoethyl)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)C1CCC[C@](O1)(C#N)O[C@@H](CCCl)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations