Geometry & MOs

Info

ID:	300455
PubChem CID:	121283724
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	-11.53
Dipole, Da:	4.18
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C2=NN=C3N2C=C(C=C3)O[C@@H]4CC[C@@H](C5=CC=CC=C45)NC(=O)N)C

DOS

IR

Vibrations