Geometry & MOs

Info

ID:	128368
PubChem CID:	51041639
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	339.11567
ΔH_f, kcal/mol:	-109.14
Dipole, Da:	3.07
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride

Drug info:

PubChemData

Smile

CCN(CC)CC(CN1C=C(C(=O)NC1=O)C)NCC2=CC=C(C=C2)OC

DOS

IR

Vibrations