Geometry & MOs

Info

ID:	187420
PubChem CID:	77571699
Reduced:	FO3N6C23H28 (1)
Stoich.:	AB3C6D23E28 (1)
Weight, g/mol:	728.12566
ΔH_f, kcal/mol:	-66.54
Dipole, Da:	5.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.842907
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-amino-3,5-dibromophenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC#CCN1C2C(=NC1=[N+]3CCCC(C3)N)N(C(=O)N(C2=O)CC4=C(C(=CC=C4)OC)F)C

DOS

IR

Vibrations