Geometry & MOs

Info

ID:	180146
PubChem CID:	76584812
Reduced:	Cl2O3N5C23H33 (1)
Stoich.:	A2B3C5D23E33 (1)
Weight, g/mol:	495.141565
ΔH_f, kcal/mol:	-126.85
Dipole, Da:	3.55
IP(EA), eV:	-8.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-4-[4-(4,4,4-trifluorobutyl)piperazine-2-carbonyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2CCOC(C2)CN3CCN(CC3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations