Geometry & MOs

Info

ID:	225393
PubChem CID:	85756648
Reduced:	ClNO4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	394.138051
ΔH_f, kcal/mol:	-72.98
Dipole, Da:	4.02
IP(EA), eV:	-8.82(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4,4-bis(4-fluorophenyl)but-3-enoxy]benzoate

Drug info:

PubChemData

Smile

COC1=CC2=CC(=C(N=C2C=C1OC)OC3=CC=C(C=C3)Cl)C=O

DOS

IR

Vibrations