Geometry & MOs

Info

ID:	314625
PubChem CID:	126622492
Reduced:	O2N5H19C24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	223.98705
ΔH_f, kcal/mol:	91.49
Dipole, Da:	2.3
IP(EA), eV:	-8.96(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromoethylsulfanylmethyl)-3-methyloxetane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3OC4=CC=CC=C4)C5=CC=CC=N5

DOS

IR

Vibrations