Geometry & MOs

Info

ID:	202349
PubChem CID:	79661359
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	254.156518
ΔH_f, kcal/mol:	-10.03
Dipole, Da:	8.06
IP(EA), eV:	-9.09(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCN(CC(C)(C)CN)C1=NC=C(C(=C1)C)[N+](=O)[O-]

DOS

IR

Vibrations