Geometry & MOs

Info

ID:	448500
PubChem CID:	135291385
Reduced:	O3C16H28 (1)
Stoich.:	A3B16C28 (1)
Weight, g/mol:	335.126376
ΔH_f, kcal/mol:	-100.46
Dipole, Da:	3.54
IP(EA), eV:	-9.23(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-chloro-4-propan-2-yl-5-(trifluoromethyl)phenyl]ethyl]morpholine

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OOC(C)(C)C.CC(C)O

DOS

IR

Vibrations