Geometry & MOs

Info

ID:	362662
PubChem CID:	127309026
Reduced:	N2O2C7H11 (2)
Stoich.:	A2B2C7D11 (2)
Weight, g/mol:	325.146013
ΔH_f, kcal/mol:	-126.56
Dipole, Da:	6.56
IP(EA), eV:	-9.26(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dioxan-2-ylmethyl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)urea

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)NCC2COCCO2)CN3C=CC=N3

DOS

IR

Vibrations