Geometry & MOs

Info

ID:	394521
PubChem CID:	135023136
Reduced:	O2H16C19 (1)
Stoich.:	A2B16C19 (1)
Weight, g/mol:	194.141913
ΔH_f, kcal/mol:	0.4
Dipole, Da:	4.48
IP(EA), eV:	-9.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6S,7S)-3-ethyl-5-methyl-3,5-diazatricyclo[5.2.1.02,6]decan-4-one

Drug info:

PubChemData

Smile

C=CC[C@]1(C=C(C(=O)O1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations