Geometry & MOs

Info

ID:	88597
PubChem CID:	49955650
Reduced:	ClNSO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	244.110432
ΔH_f, kcal/mol:	-4.99
Dipole, Da:	1.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750028
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-(propylaminomethyl)phenoxy]ethanol;chloride

Drug info:

PubChemData

Smile

C1=CSC(=C1)CNCC2=CC=C(C=C2)OCCO.[Cl-]

DOS

IR

Vibrations