Geometry & MOs

Info

ID:	66159
PubChem CID:	46500339
Reduced:	O4N7C13H15 (1)
Stoich.:	A4B7C13D15 (1)
Weight, g/mol:	358.04427
ΔH_f, kcal/mol:	14.02
Dipole, Da:	2.2
IP(EA), eV:	-8.7(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6-bromo-2-phenylchromen-4-ylidene)-(2-methoxyethyl)azanium

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=N/N=C(/C2=NON=C2N)\N)OCC(=O)N

DOS

IR

Vibrations