Geometry & MOs

Info

ID:	245813
PubChem CID:	103024056
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	46.8
Dipole, Da:	6.71
IP(EA), eV:	-8.96(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-1-adamantyl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)C2=NC3=CC=CC=C3C(=C2)N

DOS

IR

Vibrations