Geometry & MOs

Info

ID:	67044
PubChem CID:	46505755
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	316.121178
ΔH_f, kcal/mol:	-28.8
Dipole, Da:	4.96
IP(EA), eV:	-10.13(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-6-methoxy-2-(quinoxalin-6-ylmethylidene)-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)C2CC/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C2=O

DOS

IR

Vibrations