Geometry & MOs

Info

ID:	422416
PubChem CID:	135117799
Reduced:	ClON3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-30.53
Dipole, Da:	4.83
IP(EA), eV:	-8.63(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCOC1CCCN(C1)C2=NC(=NC=C2Cl)C

DOS

IR

Vibrations