Geometry & MOs

Info

ID:	15241
PubChem CID:	434320
Reduced:	O3N8C18H22 (1)
Stoich.:	A3B8C18D22 (1)
Weight, g/mol:	398.181487
ΔH_f, kcal/mol:	24.89
Dipole, Da:	3.85
IP(EA), eV:	-7.88(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[6-[2-(3,4-dimethoxyanilino)ethyl]pyridazin-3-yl]pyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NCCC2=NN=C(C=C2)N3C(=C(C=N3)C(=O)NN)N)OC

DOS

IR

Vibrations