Geometry & MOs

Info

ID:	373139
PubChem CID:	131310591
Reduced:	BrSO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	201.09652
ΔH_f, kcal/mol:	-42.06
Dipole, Da:	3.39
IP(EA), eV:	-8.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-aminopropyl)-2-(difluoromethyl)phenol

Drug info:

PubChemData

Smile

CCOC1=C(C2=C(C=C1)SC(=C2)OC)Br

DOS

IR

Vibrations