Geometry & MOs

Info

ID:	159675
PubChem CID:	57288613
Reduced:	O4N5C27H35 (1)
Stoich.:	A4B5C27D35 (1)
Weight, g/mol:	487.285322
ΔH_f, kcal/mol:	-130.97
Dipole, Da:	7.67
IP(EA), eV:	-9.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(2-chlorophenoxy)propoxy]phenyl]tetradecanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC(=N2)C([C@@H](CCC3=CC=CC=C3)NC(=O)[C@H]4C[C@@H](CN4)NC(=O)[C@@H](C)N)O

DOS

IR

Vibrations