Geometry & MOs

Info

ID:	392227
PubChem CID:	135013803
Reduced:	SiO5C22H34 (1)
Stoich.:	AB5C22D34 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	-245.96
Dipole, Da:	8.17
IP(EA), eV:	-8.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,9aS)-4a-(3-azidopropyl)-9-benzyl-1,2,3,9a-tetrahydrocarbazol-4-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1C(=CC(=O)O1)CCCOCC2=CC=C(C=C2)OC

DOS

IR

Vibrations