Geometry & MOs

Info

ID:	429994
PubChem CID:	135170051
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	104.058578
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	3.46
IP(EA), eV:	-9.71(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6,2,3-dioxadiazepane

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC(CO1)C2=CC=CC=C2

DOS

IR

Vibrations