Geometry & MOs

Info

ID:	68431
PubChem CID:	46508395
Reduced:	O2F3N4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	416.203525
ΔH_f, kcal/mol:	-201.01
Dipole, Da:	10.57
IP(EA), eV:	-8.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-heptan-2-yl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations