Geometry & MOs

Info

ID:	347487
PubChem CID:	127272342
Reduced:	FSN3O3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-121.85
Dipole, Da:	1.45
IP(EA), eV:	-9.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]adamantane-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CS2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations