Geometry & MOs

Info

ID:	211718
PubChem CID:	81050781
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	298.032749
ΔH_f, kcal/mol:	-47.2
Dipole, Da:	3.1
IP(EA), eV:	-9.15(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-[chloro-(2-methoxyphenyl)methyl]-5-fluoro-4-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)CN)N(CC(C)C)CC(=O)N

DOS

IR

Vibrations