Geometry & MOs

Info

ID:	320853
PubChem CID:	126663875
Reduced:	O2N7C27H27 (1)
Stoich.:	A2B7C27D27 (1)
Weight, g/mol:	276.116173
ΔH_f, kcal/mol:	59.45
Dipole, Da:	4.16
IP(EA), eV:	-7.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl (2Z,4Z,6Z)-6-fluoro-3-methoxy-2-methylocta-2,4,6-trienoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=NNN2)C3=CC(=O)N4C(CCC4=C3)C(=O)NC5=CC6=C(C=C5)N(C(=C6)C)C

DOS

IR

Vibrations