Geometry & MOs

Info

ID:	217089
PubChem CID:	85087229
Reduced:	ClN2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	330.02891
ΔH_f, kcal/mol:	104.72
Dipole, Da:	4.29
IP(EA), eV:	-8.78(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)methoxymethyl]-2-sulfanylhex-5-en-1-ol

Drug info:

PubChemData

Smile

CN(C1=CN=C2C=C(C=CC2=N1)Cl)N=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations