Geometry & MOs

Info

ID:	406144
PubChem CID:	135076710
Reduced:	BrFNC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	443.10961
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	4.1
IP(EA), eV:	-8.29(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-bromo-5-methoxyphenyl)methyl-pentylamino]-4-methylchromen-2-one

Drug info:

PubChemData

Smile

CN(C1CCC=C1Br)C2=CC=C(C=C2)F

DOS

IR

Vibrations