Geometry & MOs

Info

ID:	181504
PubChem CID:	76753563
Reduced:	N3C9H11 (2)
Stoich.:	A3B9C11 (2)
Weight, g/mol:	290.168208
ΔH_f, kcal/mol:	78.71
Dipole, Da:	7.01
IP(EA), eV:	-8.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoroundeca-4,7-dien-6-yl benzoate

Drug info:

PubChemData

Smile

CC1CCCCC1NC2=NC(=CN=C2)C3=CN=C4N3C=C(N=C4)C

DOS

IR

Vibrations