Geometry & MOs

Info

ID:	145327
PubChem CID:	53500180
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	349.176342
ΔH_f, kcal/mol:	-169.36
Dipole, Da:	4.54
IP(EA), eV:	-8.7(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC2CCCCO2)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations