Geometry & MOs

Info

ID:	237426
PubChem CID:	92719172
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-83.34
Dipole, Da:	5.01
IP(EA), eV:	-8.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S)-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

CC1=C2[C@H](C3=C(C[C@H](CC3=O)C4=CC=C(C=C4)O)N=C2ON1)C5=CC(=C(C=C5)OC)O

DOS

IR

Vibrations