Geometry & MOs

Info

ID:	334623
PubChem CID:	127253298
Reduced:	NO8C25H27 (1)
Stoich.:	AB8C25D27 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-266.37
Dipole, Da:	5.99
IP(EA), eV:	-8.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbonyl]-7-methoxy-1H-quinolin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(CC(=O)OC)C2=C(C=CC3=C2O/C(=C\N4CCOCC4)/C3=O)O)CO

DOS

IR

Vibrations