Geometry & MOs

Info

ID:	289624
PubChem CID:	104361014
Reduced:	ClN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	271.079763
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	6.79
IP(EA), eV:	-9.03(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylsulfanyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2COC3=CC=C(C=C3)C(=N)N)Cl

DOS

IR

Vibrations