Geometry & MOs

Info

ID:	402520
PubChem CID:	135056269
Reduced:	ClNO3C8H14 (1)
Stoich.:	ABC3D8E14 (1)
Weight, g/mol:	318.143136
ΔH_f, kcal/mol:	-146.38
Dipole, Da:	5.54
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[(E)-2-(3-fluoro-4-methoxyphenyl)pent-2-en-3-yl]-1-methoxybenzene

Drug info:

PubChemData

Smile

CN(C)CCOC(=O)CCC(=O)Cl

DOS

IR

Vibrations