Geometry & MOs

Info

ID:	400091
PubChem CID:	135045302
Reduced:	ON2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	18.51
Dipole, Da:	2.21
IP(EA), eV:	-9.37(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R)-12-methylidene-16-oxa-8-azatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-triene

Drug info:

PubChemData

Smile

CC(=O)C[C@@H](/C=C/C1=CC=CC=C1)C2=CN=CN2

DOS

IR

Vibrations