Geometry & MOs

Info

ID:	392549
PubChem CID:	135017134
Reduced:	FO4H13C15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	187.084458
ΔH_f, kcal/mol:	-166.16
Dipole, Da:	6.6
IP(EA), eV:	-9.55(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-nitrohept-5-enoate

Drug info:

PubChemData

Smile

C1C2C(C(C=C1F)OCC3=CC=CC=C3)C(=O)OC2=O

DOS

IR

Vibrations