Geometry & MOs

Info

ID:	126569
PubChem CID:	50968281
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	301.215413
ΔH_f, kcal/mol:	-107.71
Dipole, Da:	4.64
IP(EA), eV:	-9.13(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(4,6-dimethylpyrimidin-2-yl)amino]ethyl]adamantan-1-ol

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CCN(CC1)C(=O)[C@@]23CNC[C@@H]2CN(C3)C(=O)C4CC4

DOS

IR

Vibrations