Geometry & MOs

Info

ID:	144434
PubChem CID:	53368210
Reduced:	ON6H16C18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	371.175753
ΔH_f, kcal/mol:	101.88
Dipole, Da:	9.98
IP(EA), eV:	-8.34(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C3C=CN(C3=CC=C2)C)N4C=NN=N4

DOS

IR

Vibrations