Geometry & MOs

Info

ID:	48570
PubChem CID:	11108642
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	280.01785
ΔH_f, kcal/mol:	40.64
Dipole, Da:	4.19
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[(2-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one;oxovanadium

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC=CC=C1C#CC2=CC=CC=C2

DOS

IR

Vibrations