Geometry & MOs

Info

ID:	123044
PubChem CID:	50831308
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	384.159769
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	3.63
IP(EA), eV:	-8.89(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=N2)C(=O)CN3CCN(CC3=O)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations