Geometry & MOs

Info

ID:	244194
PubChem CID:	99319320
Reduced:	F2O2N6H14C17 (1)
Stoich.:	A2B2C6D14E17 (1)
Weight, g/mol:	389.166331
ΔH_f, kcal/mol:	-44.13
Dipole, Da:	7.4
IP(EA), eV:	-10.14(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=NN=N2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations