Geometry & MOs

Info

ID:	405493
PubChem CID:	135074168
Reduced:	FO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	330.125594
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	0.98
IP(EA), eV:	-9.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-benzoyl-3-[2-(2-cyclopropylethynyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)C1(CC1C2=CC=C(C=C2)F)C(=O)OC

DOS

IR

Vibrations