Geometry & MOs

Info

ID:	308107
PubChem CID:	125316970
Reduced:	O2N7H15C18 (1)
Stoich.:	A2B7C15D18 (1)
Weight, g/mol:	409.152537
ΔH_f, kcal/mol:	138.11
Dipole, Da:	6.72
IP(EA), eV:	-9.24(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6,8-dimethyl-3-[(4R)-5,6,7-trimethoxy-2-oxo-3,4-dihydrochromen-4-yl]-3H-quinolin-2-one

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)/C=N\NC(=O)COC3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations