Geometry & MOs

Info

ID:	123092
PubChem CID:	50832668
Reduced:	ClO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	448.05463
ΔH_f, kcal/mol:	-37.97
Dipole, Da:	4.83
IP(EA), eV:	-9.22(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C(=NN2C)COCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations