Geometry & MOs

Info

ID:	444463
PubChem CID:	135262528
Reduced:	O4N6C27H36 (1)
Stoich.:	A4B6C27D36 (1)
Weight, g/mol:	175.084458
ΔH_f, kcal/mol:	-83.94
Dipole, Da:	5.07
IP(EA), eV:	-8.81(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxypropyl azetidine-1-carboperoxoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4CCOC4)N(N=C2)C5=CC(=NC(=N5)OC)N6CCOC[C@@H]6CO

DOS

IR

Vibrations