Geometry & MOs

Info

ID:	406149
PubChem CID:	135076719
Reduced:	SF3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	269.060742
ΔH_f, kcal/mol:	-248.7
Dipole, Da:	3.13
IP(EA), eV:	-8.91(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-methyl-3-phenylprop-2-ynamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2(CCCC=C2OS(=O)(=O)C(F)(F)F)CC3=CC=C(C=C3)C

DOS

IR

Vibrations