Geometry & MOs

Info

ID:	171826
PubChem CID:	75431902
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	-90.16
Dipole, Da:	3.89
IP(EA), eV:	-9.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C1=C(C=CC=N1)OC)S(=O)(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations