Geometry & MOs

Info

ID:	314072
PubChem CID:	126620283
Reduced:	SO4N5C26H33 (1)
Stoich.:	AB4C5D26E33 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-113.92
Dipole, Da:	4.97
IP(EA), eV:	-9.4(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-but-2-ynoxyacetate

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C(C(C)C)C(=O)N2CC(CC2C(=O)NC(CO)C3=CC=C(C=C3)C4=C(N=CS4)C)O

DOS

IR

Vibrations