Geometry & MOs

Info

ID:	190448
PubChem CID:	78007711
Reduced:	N2O5C14H26 (1)
Stoich.:	A2B5C14D26 (1)
Weight, g/mol:	409.132094
ΔH_f, kcal/mol:	-284.34
Dipole, Da:	3.61
IP(EA), eV:	-9.63(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(6-pyrazol-4-ylidene-5,7,8,8a-tetrahydro-1H-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]quinolin-4-yl]oxyethanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC(CC1OC(C)(C)O)C(=O)N

DOS

IR

Vibrations