Geometry & MOs

Info

ID:	368742
PubChem CID:	127329985
Reduced:	FON5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	398.223038
ΔH_f, kcal/mol:	-58.98
Dipole, Da:	4.63
IP(EA), eV:	-8.48(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-pyrazin-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N2CCCC(C2)NC(=O)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations