Geometry & MOs

Info

ID:	30412
PubChem CID:	841288
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-28.42
Dipole, Da:	4.14
IP(EA), eV:	-9.24(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations