Geometry & MOs

Info

ID:	280052
PubChem CID:	103846577
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	187.0667
ΔH_f, kcal/mol:	-104.65
Dipole, Da:	2.49
IP(EA), eV:	-9.2(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)prop-2-ynamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)C(CC(=O)OC)N

DOS

IR

Vibrations