Geometry & MOs

Info

ID:	180406
PubChem CID:	76628999
Reduced:	NC20H27 (1)
Stoich.:	AB20C27 (1)
Weight, g/mol:	716.312934
ΔH_f, kcal/mol:	20.07
Dipole, Da:	2.09
IP(EA), eV:	-8.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-aminobutyl)-4-(2-naphthalen-2-ylethyl)-3-oxopiperazin-1-yl]-3-(4-chloro-2-methylphenyl)-1-oxopropan-2-yl]-4-phenoxybenzamide

Drug info:

PubChemData

Smile

CC(C=CCCCCCCN)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations