Geometry & MOs

Info

ID:	227286
PubChem CID:	87561047
Reduced:	ClFN4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	471.111647
ΔH_f, kcal/mol:	-23.06
Dipole, Da:	4.43
IP(EA), eV:	-9.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[4-[1-chloro-2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-prop-2-ynylpiperazin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1(CN(C2=CN=C(N=C2N(C1)C3CCCC3)Cl)C)F

DOS

IR

Vibrations