Geometry & MOs

Info

ID:	48174
PubChem CID:	10537694
Reduced:	BrO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	235.048072
ΔH_f, kcal/mol:	-100.31
Dipole, Da:	4.03
IP(EA), eV:	-10.49(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-nitro-2H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCC/C=C(\C(=O)O)/Br

DOS

IR

Vibrations