Geometry & MOs

Info

ID:	203439
PubChem CID:	79831050
Reduced:	BrNSH16C18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	243.071842
ΔH_f, kcal/mol:	61.7
Dipole, Da:	2.99
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl 2-(hydroxymethyl)morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=C(S2)C)C3=CC(=CC=C3)Br

DOS

IR

Vibrations