Geometry & MOs

Info

ID:	52586
PubChem CID:	12015514
Reduced:	NOC21H31 (1)
Stoich.:	ABC21D31 (1)
Weight, g/mol:	389.271865
ΔH_f, kcal/mol:	-41.48
Dipole, Da:	1.97
IP(EA), eV:	-8.54(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R,12S,15R,17R)-8-benzyl-8,11,11,15-tetramethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene

Drug info:

PubChemData

Smile

C/C=C/CN1[C@@H](O[C@@H]2C[C@@H](CC[C@H]2C1(C)C)C)C3=CC=CC=C3

DOS

IR

Vibrations