Geometry & MOs

Info

ID:	338878
PubChem CID:	127259889
Reduced:	NSO2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-42.36
Dipole, Da:	1.97
IP(EA), eV:	-8.93(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[2-(hydroxymethyl)anilino]methylidene]-3-methoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations