Geometry & MOs

Info

ID:	382978
PubChem CID:	134974439
Reduced:	BrNO4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	343.02079
ΔH_f, kcal/mol:	-88.51
Dipole, Da:	3.79
IP(EA), eV:	-8.49(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(=O)C(=C2)NCC3=C(C=CC(=C3)OC)Br

DOS

IR

Vibrations