Geometry & MOs

Info

ID:	175602
PubChem CID:	75926544
Reduced:	BrFON3H19C21 (1)
Stoich.:	ABCD3E19F21 (1)
Weight, g/mol:	305.246713
ΔH_f, kcal/mol:	3.98
Dipole, Da:	5.75
IP(EA), eV:	-9.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)CNC(=O)C3CC3C4=CC=C(C=C4)Br)F

DOS

IR

Vibrations