Geometry & MOs

Info

ID:	186401
PubChem CID:	77427114
Reduced:	ClNOC17H24 (1)
Stoich.:	ABCD17E24 (1)
Weight, g/mol:	339.160121
ΔH_f, kcal/mol:	-56.61
Dipole, Da:	2.96
IP(EA), eV:	-8.99(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-[[2-hydroxy-1-(oxan-4-yl)ethyl]amino]pentan-2-one

Drug info:

PubChemData

Smile

CC(=O)C(CCNC1CCCCC1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations