Geometry & MOs

Info

ID:	151811
PubChem CID:	56310621
Reduced:	F2N3O5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	400.166604
ΔH_f, kcal/mol:	-194.25
Dipole, Da:	6.62
IP(EA), eV:	-9.13(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloropyridin-3-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC(F)F)OC

DOS

IR

Vibrations