Geometry & MOs

Info

ID:	169397
PubChem CID:	75099967
Reduced:	ClF2N3O3C28H28 (1)
Stoich.:	AB2C3D3E28F28 (1)
Weight, g/mol:	469.174389
ΔH_f, kcal/mol:	-145.03
Dipole, Da:	1.12
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(CN(C1C(=O)NCCC2=CC3=C(C=C2)OCO3)CC4=CC(=CC=C4)Cl)NCC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations