Geometry & MOs

Info

ID:	276055
PubChem CID:	103820201
Reduced:	ClON2C8H13 (1)
Stoich.:	ABC2D8E13 (1)
Weight, g/mol:	275.074678
ΔH_f, kcal/mol:	-20.43
Dipole, Da:	2.29
IP(EA), eV:	-9.62(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-propylsulfonylethanamine

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC/C=C/Cl

DOS

IR

Vibrations