Geometry & MOs

Info

ID:	258809
PubChem CID:	103157095
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	315.11567
ΔH_f, kcal/mol:	-166.45
Dipole, Da:	5.01
IP(EA), eV:	-8.72(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations