Geometry & MOs

Info

ID:	123539
PubChem CID:	50853311
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	-77.73
Dipole, Da:	1.39
IP(EA), eV:	-8.31(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-8-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=CC=CC=C2N1)C(=O)OC

DOS

IR

Vibrations