Geometry & MOs

Info

ID:	285506
PubChem CID:	104109939
Reduced:	ClNSO2C9H20 (1)
Stoich.:	ABCD2E9F20 (1)
Weight, g/mol:	267.138992
ΔH_f, kcal/mol:	-133.37
Dipole, Da:	4.74
IP(EA), eV:	-9.38(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pentan-2-amine

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NCCCS(=O)(=O)C

DOS

IR

Vibrations