Geometry & MOs

Info

ID:	216537
PubChem CID:	85086384
Reduced:	O2H18C19 (1)
Stoich.:	A2B18C19 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	83.48
Dipole, Da:	3.21
IP(EA), eV:	-8.77(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-1-imine oxide

Drug info:

PubChemData

Smile

C#CC(C=CC=CC1=CC=CC=C(C1)C=CC(C#C)O)O

DOS

IR

Vibrations