Geometry & MOs

Info

ID:	209115
PubChem CID:	80626669
Reduced:	N2S2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	37.91
Dipole, Da:	1.28
IP(EA), eV:	-8.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(2-methoxy-4-methylphenoxy)pyridin-3-yl]butan-2-amine

Drug info:

PubChemData

Smile

CNC(CC1=NC(=CS1)C2=CC=CC=C2)C3CCCCS3

DOS

IR

Vibrations