Geometry & MOs

Info

ID:	322066
PubChem CID:	126668476
Reduced:	OSN3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	259.077933
ΔH_f, kcal/mol:	39.31
Dipole, Da:	6.19
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)SNC3=NN=CC=C3)OC1

DOS

IR

Vibrations