Geometry & MOs

Info

ID:	154659
PubChem CID:	56314146
Reduced:	ClO2F3N3H21C22 (1)
Stoich.:	AB2C3D3E21F22 (1)
Weight, g/mol:	471.234491
ΔH_f, kcal/mol:	-188.29
Dipole, Da:	3.17
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)C2=C(C3=CC=CC=C3N2)Cl)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations