Geometry & MOs

Info

ID:	340939
PubChem CID:	127263374
Reduced:	BrClFINH5C6 (1)
Stoich.:	ABCDEF5G6 (1)
Weight, g/mol:	296.00481
ΔH_f, kcal/mol:	-38.94
Dipole, Da:	2.17
IP(EA), eV:	-9.09(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(2R)-6-bromo-3,4-dihydro-2H-chromen-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Br)F)I)N.Cl

DOS

IR

Vibrations