Geometry & MOs

Info

ID:	256046
PubChem CID:	103136609
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	317.094934
ΔH_f, kcal/mol:	-47.65
Dipole, Da:	8.37
IP(EA), eV:	-9.48(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-dichloro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1CC(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations