Geometry & MOs

Info

ID:	392787
PubChem CID:	135017977
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-8.19
Dipole, Da:	4.87
IP(EA), eV:	-8.67(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hex-1-ynylphenyl)-N-methylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=CC=CC=C2S(=O)(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations