Geometry & MOs

Info

ID:	361126
PubChem CID:	127302042
Reduced:	ON3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	394.218032
ΔH_f, kcal/mol:	-10.63
Dipole, Da:	6.22
IP(EA), eV:	-8.44(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorobenzoyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2)C

DOS

IR

Vibrations