Geometry & MOs

Info

ID:	180991
PubChem CID:	76713794
Reduced:	FN2O4C30H43 (1)
Stoich.:	AB2C4D30E43 (1)
Weight, g/mol:	397.201986
ΔH_f, kcal/mol:	-207.61
Dipole, Da:	4.84
IP(EA), eV:	-8.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[1-(3-chlorophenyl)-1-hydroxyhexyl]morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CC(=O)N1CCCC(C1)C(CCCCOC)(C2=CC=CC=C2OC3=CC(=CC=C3)F)O)CNC

DOS

IR

Vibrations