Geometry & MOs

Info

ID:	154445
PubChem CID:	56313885
Reduced:	O2F3N4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	442.117413
ΔH_f, kcal/mol:	-194.77
Dipole, Da:	3.31
IP(EA), eV:	-9.09(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1=CC(=NN1)C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations