Geometry & MOs

Info

ID:	197675
PubChem CID:	78987111
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	256.143645
ΔH_f, kcal/mol:	66.67
Dipole, Da:	7.47
IP(EA), eV:	-9.36(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyanomethyl)piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CNC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations