Geometry & MOs

Info

ID:	279583
PubChem CID:	103844390
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-103.38
Dipole, Da:	4.5
IP(EA), eV:	-9.54(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5,6-dimethylpyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC(=NC(=N1)OC)OC)CO

DOS

IR

Vibrations