Geometry & MOs

Info

ID:	121035
PubChem CID:	50753849
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	436.118985
ΔH_f, kcal/mol:	-12.6
Dipole, Da:	6.72
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-chlorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-4,6,7,8-tetrahydro-2H-[1,2]oxazolo[5,4-b]quinolin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C(=O)C4=C(CCC4)N(C3=N2)CC(=O)N5CCCCC5

DOS

IR

Vibrations