Geometry & MOs

Info

ID:	282034
PubChem CID:	103914687
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	-49.11
Dipole, Da:	2.47
IP(EA), eV:	-8.88(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)NC(C)C(C)OC

DOS

IR

Vibrations