Geometry & MOs

Info

ID:	310964
PubChem CID:	126588627
Reduced:	ClON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	266.118591
ΔH_f, kcal/mol:	28.99
Dipole, Da:	7.81
IP(EA), eV:	-8.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,6Z)-5-[(E)-4-chloro-4-(methylamino)but-3-enimidoyl]-2-methylcycloocta-1,4,6-trien-1-ol

Drug info:

PubChemData

Smile

CC1=C/C(=C\2/C=C(N(N2)C)Cl)/C=CC1=O

DOS

IR

Vibrations