Geometry & MOs

Info

ID:	70748
PubChem CID:	48413812
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-52.93
Dipole, Da:	4.51
IP(EA), eV:	-8.83(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-1-adamantyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CCC(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations