Geometry & MOs

Info

ID:	205090
PubChem CID:	80054636
Reduced:	ClSN2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	274.113984
ΔH_f, kcal/mol:	51.18
Dipole, Da:	2.11
IP(EA), eV:	-9.13(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-pyridin-4-ylsulfanylpropoxy)phenyl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)SC2=CC=NC=C2)CN

DOS

IR

Vibrations