Geometry & MOs

Info

ID:	260156
PubChem CID:	103183384
Reduced:	OSN2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	313.180857
ΔH_f, kcal/mol:	-38.87
Dipole, Da:	3.59
IP(EA), eV:	-8.74(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methyl]-N-ethyl-4-(3-methoxypropoxy)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)CSCCO

DOS

IR

Vibrations