Geometry & MOs

Info

ID:	56307
PubChem CID:	17425051
Reduced:	O4N5C17H21 (1)
Stoich.:	A4B5C17D21 (1)
Weight, g/mol:	283.113233
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	5.76
IP(EA), eV:	-9.94(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-(2,4-difluorophenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC(C)C)C(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-]

DOS

IR

Vibrations