Geometry & MOs

Info

ID:	382498
PubChem CID:	134973702
Reduced:	N2C9H12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	321.230394
ΔH_f, kcal/mol:	56.42
Dipole, Da:	7.47
IP(EA), eV:	-9.33(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-1,7,7-trimethyl-4-(morpholin-4-ylmethyl)-6-oxatricyclo[6.2.2.04,9]dodecan-3-one

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=NC#N)N([C@H]2N1CCC2)CC3=CC=CC=C3

DOS

IR

Vibrations