Geometry & MOs

Info

ID:	32120
PubChem CID:	4266155
Reduced:	SO4N5C22H23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	511.179333
ΔH_f, kcal/mol:	-89.2
Dipole, Da:	2.32
IP(EA), eV:	-9.26(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-4-(2-methylpropoxy)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3C(=O)OC

DOS

IR

Vibrations