Geometry & MOs

Info

ID:	355280
PubChem CID:	127288237
Reduced:	F3N8H11C12 (1)
Stoich.:	A3B8C11D12 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-9.12
Dipole, Da:	9.41
IP(EA), eV:	-10.14(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-4-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=NC=NN2CC1NC3=NN4C(=NN=C4C(F)(F)F)C=C3

DOS

IR

Vibrations