Geometry & MOs

Info

ID:	175568
PubChem CID:	75922487
Reduced:	F3N3O3C20H28 (1)
Stoich.:	A3B3C3D20E28 (1)
Weight, g/mol:	447.213362
ΔH_f, kcal/mol:	-311.15
Dipole, Da:	7.4
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCCC2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations