Geometry & MOs

Info

ID:	193531
PubChem CID:	78404086
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	18.51
Dipole, Da:	5.97
IP(EA), eV:	-8.64(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(2-methoxyphenyl)-1,3-diazinan-4-ylidene]-3-[(2-methylphenyl)methoxy]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1C(CNC(=CC(=O)C2=CC=CC=C2)N1)C3=CC=CC=C3

DOS

IR

Vibrations