Geometry & MOs

Info

ID:	255150
PubChem CID:	103130359
Reduced:	OSN2C9H16 (1)
Stoich.:	ABC2D9E16 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-20.15
Dipole, Da:	3.48
IP(EA), eV:	-8.4(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(CCCSC)O

DOS

IR

Vibrations