Geometry & MOs

Info

ID:	390094
PubChem CID:	134997033
Reduced:	NOC20H29 (1)
Stoich.:	ABC20D29 (1)
Weight, g/mol:	476.303893
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	2.61
IP(EA), eV:	-8.58(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,11S)-10-tert-butyl-11-cyclohexyl-7,7-dimethyl-1,1-diphenyl-2,5,9-trioxa-8,10-diazadispiro[2.0.44.33]undecane

Drug info:

PubChemData

Smile

C[C@@H]1CCC2C(C1)O[C@H]3C4=CC=CC=C4[C@@H](CN3C2(C)C)C

DOS

IR

Vibrations