Geometry & MOs

Info

ID:	377960
PubChem CID:	134224027
Reduced:	ClNF3O3H17C25 (1)
Stoich.:	ABC3D3E17F25 (1)
Weight, g/mol:	331.133907
ΔH_f, kcal/mol:	-195.17
Dipole, Da:	3.86
IP(EA), eV:	-9.34(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chloro-3-phenylmethoxyphenyl)-3-methylbutan-2-yl]formamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1C3=CC=C(C=C3)Cl)C=C(C=C2)C(F)(F)F)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations