Geometry & MOs

Info

ID:	364977
PubChem CID:	127316627
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	370.225643
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	4.2
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(oxan-4-yloxy)pyridin-4-yl]methyl]adamantane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2)C(=O)NCC3=CC(=NC=C3)OC4CCOCC4

DOS

IR

Vibrations