Geometry & MOs

Info

ID:	343502
PubChem CID:	127266675
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	251.084081
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	6.86
IP(EA), eV:	-9.05(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NC[C@H](CN2CCCCC2)O)[N+](=O)[O-]

DOS

IR

Vibrations