Geometry & MOs

Info

ID:	382977
PubChem CID:	134974438
Reduced:	BrNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	389.02627
ΔH_f, kcal/mol:	-52.58
Dipole, Da:	2.44
IP(EA), eV:	-8.14(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-5-methoxyphenyl)methylamino]-6-methoxychromen-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(=O)C(=C2)NCC3=CC=CC=C3Br

DOS

IR

Vibrations