Geometry & MOs

Info

ID:	167416
PubChem CID:	74825473
Reduced:	FN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	363.22972
ΔH_f, kcal/mol:	-76.1
Dipole, Da:	4.67
IP(EA), eV:	-9.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl-(1-pyrimidin-2-ylpiperidin-3-yl)azanium

Drug info:

PubChemData

Smile

CC1C=CCC(N1C(=O)C2=COC(=N2)COC3=CC=CC=C3F)CC=C

DOS

IR

Vibrations