Geometry & MOs

Info

ID:	49037
PubChem CID:	11528641
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	219.083019
ΔH_f, kcal/mol:	-62.79
Dipole, Da:	5.69
IP(EA), eV:	-9.53(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2,4-dihydro-[1,3,5]thiadiazino[3,2-a]benzimidazole

Drug info:

PubChemData

Smile

CC(C)([C@H](C(=O)O)N)C(=C)C1=CC=CC=C1

DOS

IR

Vibrations