Geometry & MOs

Info

ID:	415982
PubChem CID:	135088987
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-22.33
Dipole, Da:	5.77
IP(EA), eV:	-8.87(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[(3S,4R)-4-methoxypiperidin-3-yl]-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CC1=NOC(=N1)CN(C)C(=O)C2=CC=C(C=C2)CN3CCCCCC3

DOS

IR

Vibrations