Geometry & MOs

Info

ID:	229575
PubChem CID:	87568067
Reduced:	CrN6O6C20H24 (1)
Stoich.:	AB6C6D20E24 (1)
Weight, g/mol:	310.100523
ΔH_f, kcal/mol:	-262.38
Dipole, Da:	11.65
IP(EA), eV:	-7.82(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[4-[(Z)-2-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C/C(=C/1\C=CC(=O)C=C1O)/NC(CC2=CN=CN2)C(=O)O.C1=C(NC=N1)CC(C(=O)O)N.[Cr]

DOS

IR

Vibrations