Geometry & MOs

Info

ID:	266773
PubChem CID:	103579364
Reduced:	NOSC10H11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	21.84
Dipole, Da:	3.56
IP(EA), eV:	-9.41(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-N-pent-1-yn-3-ylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations