Geometry & MOs

Info

ID:	237425
PubChem CID:	92719170
Reduced:	ClON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	19.16
Dipole, Da:	4.5
IP(EA), eV:	-8.68(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C(=O)[C@H](C)N2C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

DOS

IR

Vibrations