Geometry & MOs

Info

ID:	364973
PubChem CID:	127316623
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	398.256943
ΔH_f, kcal/mol:	-120.55
Dipole, Da:	5.06
IP(EA), eV:	-8.44(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[[2-(oxan-4-yloxy)pyridin-4-yl]methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1OC2=NC=CC(=C2)CNC(=O)C3CCSCC3

DOS

IR

Vibrations