Geometry & MOs

Info

ID:	449881
PubChem CID:	135302247
Reduced:	FON6H23C32 (1)
Stoich.:	ABC6D23E32 (1)
Weight, g/mol:	254.036779
ΔH_f, kcal/mol:	141.08
Dipole, Da:	5.11
IP(EA), eV:	-8.68(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetradeca-1,3,5,7,9,11,13-heptaynyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)OCC7=CC=CC=C7)/C=C32

DOS

IR

Vibrations