Geometry & MOs

Info

ID:	209936
PubChem CID:	80741562
Reduced:	NSO2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-48.85
Dipole, Da:	4.45
IP(EA), eV:	-9.02(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyphenyl)-N-(2-methylbut-3-yn-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CSC=C1)NC(=O)CC2=CC=CC=C2O

DOS

IR

Vibrations