Geometry & MOs

Info

ID:	211003
PubChem CID:	80882194
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	282.072137
ΔH_f, kcal/mol:	5.72
Dipole, Da:	7.72
IP(EA), eV:	-9.0(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(ethylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=CC=C1)OC2=CN=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations