Geometry & MOs

Info

ID:	388193
PubChem CID:	134988495
Reduced:	SN2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	36.58
Dipole, Da:	3.37
IP(EA), eV:	-8.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-propan-2-yloxyprop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(=NCC1)SC2=CC=CC=N2

DOS

IR

Vibrations