Geometry & MOs

Info

ID:	420160
PubChem CID:	135111515
Reduced:	ClO2N4C15H19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	567.236936
ΔH_f, kcal/mol:	-42.92
Dipole, Da:	3.9
IP(EA), eV:	-8.98(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-14-(quinoline-2-carbonyl)-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(=CN3C)Cl

DOS

IR

Vibrations