Geometry & MOs

Info

ID:	357686
PubChem CID:	127294360
Reduced:	OSN6C17H24 (1)
Stoich.:	ABC6D17E24 (1)
Weight, g/mol:	316.226312
ΔH_f, kcal/mol:	28.09
Dipole, Da:	7.97
IP(EA), eV:	-8.45(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)CC(=O)NC3=NC4=C(S3)CCC4

DOS

IR

Vibrations