Geometry & MOs

Info

ID:	50036
PubChem CID:	11538934
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	416.297368
ΔH_f, kcal/mol:	-5.76
Dipole, Da:	3.13
IP(EA), eV:	-8.63(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-(6-dodecylsulfanylpyridin-2-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1C[C@H]2[C@H]3N1C4(CCN(CC4)CC5=CC=CC=C5)C(=N)N3C6=CC=CC=C26

DOS

IR

Vibrations