Geometry & MOs

Info

ID:	68432
PubChem CID:	46508397
Reduced:	F3O3N4C19H27 (1)
Stoich.:	A3B3C4D19E27 (1)
Weight, g/mol:	481.149237
ΔH_f, kcal/mol:	-215.93
Dipole, Da:	4.41
IP(EA), eV:	-9.51(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(C)NC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations