Geometry & MOs

Info

ID:	59117
PubChem CID:	24771037
Reduced:	OCl2N2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	334.090662
ΔH_f, kcal/mol:	-11.68
Dipole, Da:	5.74
IP(EA), eV:	-9.48(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[6-chloro-5-(4-methylsulfanylphenyl)pyridin-3-yl]oxymethyl]cyclopropyl]methanamine

Drug info:

PubChemData

Smile

C1CC1(CN)COC2=CN=CC(=C2)C3=CC=C(C=C3)Cl.Cl

DOS

IR

Vibrations