Geometry & MOs

Info

ID:	282029
PubChem CID:	103914681
Reduced:	SN2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	5.12
Dipole, Da:	4.74
IP(EA), eV:	-7.92(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-chlorophenyl)ethyl]-1-ethoxypropan-2-amine

Drug info:

PubChemData

Smile

CCC(CSC)NC1CCN(CC1)C2=CC=CC=C2

DOS

IR

Vibrations