Geometry & MOs

Info

ID:	421589
PubChem CID:	135116270
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	562.242749
ΔH_f, kcal/mol:	-13.37
Dipole, Da:	2.65
IP(EA), eV:	-8.89(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-14-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-17,20-dioxa-11,14-diazatetracyclo[19.2.2.02,11.03,8]pentacosa-1(23),3,5,7,21,24-hexaen-12-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC(=NN3)N

DOS

IR

Vibrations