Geometry & MOs

Info

ID:	382976
PubChem CID:	134974434
Reduced:	O2N3F6C16H19 (1)
Stoich.:	A2B3C6D16E19 (1)
Weight, g/mol:	359.01571
ΔH_f, kcal/mol:	-384.05
Dipole, Da:	11.95
IP(EA), eV:	-8.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromophenyl)methylamino]-6-methoxychromen-2-one

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C(=C(C(C1)(C(F)(F)F)C(F)(F)F)C#N)N)C(=O)OCC

DOS

IR

Vibrations