Geometry & MOs

Info

ID:	199195
PubChem CID:	79213072
Reduced:	NSO3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	-114.64
Dipole, Da:	6.23
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-6-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)C1CSC2=CC=CC=C12

DOS

IR

Vibrations