Geometry & MOs

Info

ID:	154752
PubChem CID:	56314268
Reduced:	O2F3N3C22H32 (1)
Stoich.:	A2B3C3D22E32 (1)
Weight, g/mol:	461.229012
ΔH_f, kcal/mol:	-248.13
Dipole, Da:	1.37
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCCCC1C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations