Geometry & MOs

Info

ID:	289658
PubChem CID:	104363947
Reduced:	BrON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	351.98811
ΔH_f, kcal/mol:	34.55
Dipole, Da:	2.96
IP(EA), eV:	-8.8(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylsulfinyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=CC2=C1OCC2)Br)C3=NNN=C3

DOS

IR

Vibrations