Geometry & MOs

Info

ID:	197138
PubChem CID:	78928431
Reduced:	ClOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-10.3
Dipole, Da:	0.87
IP(EA), eV:	-8.65(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]-6-methylpyridin-3-ol

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)O)CNC2CCSC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations