Geometry & MOs

Info

ID:	186847
PubChem CID:	77493237
Reduced:	F3N3O3C22H32 (1)
Stoich.:	A3B3C3D22E32 (1)
Weight, g/mol:	413.24269
ΔH_f, kcal/mol:	-235.57
Dipole, Da:	5.55
IP(EA), eV:	-9.72(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-1-(3-methoxypropyl)-5-pyrazol-1-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OCCN1C(=C(C=N1)C(=O)NC2CCC3CC4C2CC(C3)(C4)O)C(F)(F)F

DOS

IR

Vibrations