Geometry & MOs

Info

ID:	445408
PubChem CID:	135266905
Reduced:	SN8C15H16 (1)
Stoich.:	AB8C15D16 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	171.05
Dipole, Da:	2.78
IP(EA), eV:	-8.71(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-1-(methylamino)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

Drug info:

PubChemData

Smile

C/C(=N/NC1=CC=CC=C1)/C(=N)CSC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations