Geometry & MOs

Info

ID:	264119
PubChem CID:	103429890
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	191.098
ΔH_f, kcal/mol:	-54.84
Dipole, Da:	7.85
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-methyl-N-(3-methylsulfanylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)NC(=O)C(C)(C)O

DOS

IR

Vibrations