Geometry & MOs

Info

ID:	382979
PubChem CID:	134974440
Reduced:	BrNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	373.03136
ΔH_f, kcal/mol:	-24.4
Dipole, Da:	5.88
IP(EA), eV:	-8.1(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)C(=C2)NCC3=CC=CC=C3Br

DOS

IR

Vibrations