Geometry & MOs

Info

ID:	66160
PubChem CID:	46500341
Reduced:	BrNO2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	324.115517
ΔH_f, kcal/mol:	-8.46
Dipole, Da:	3.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.413041
Charge, e:	1

Chem-info

IUPAC name:

(6-chloro-2-phenylchromen-4-ylidene)-cyclopentylazanium

Drug info:

PubChemData

Smile

COCC[NH+]=C1C=C(OC2=C1C=C(C=C2)Br)C3=CC=CC=C3

DOS

IR

Vibrations