Geometry & MOs

Info

ID:	158457
PubChem CID:	56463698
Reduced:	O2F3N5C21H28 (1)
Stoich.:	A2B3C5D21E28 (1)
Weight, g/mol:	423.263425
ΔH_f, kcal/mol:	-192.79
Dipole, Da:	8.4
IP(EA), eV:	-8.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-3-(propan-2-ylcarbamoylamino)benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CC(C3=NC=CN3C)(C(F)(F)F)O

DOS

IR

Vibrations