Geometry & MOs

Info

ID:	266729
PubChem CID:	103579226
Reduced:	OSN2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	31.12
Dipole, Da:	4.0
IP(EA), eV:	-9.65(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxyphenyl)-N-pent-1-yn-3-ylacetamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CSC(=N1)C

DOS

IR

Vibrations