Geometry & MOs

Info

ID:	237430
PubChem CID:	92719194
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	432.168522
ΔH_f, kcal/mol:	-24.27
Dipole, Da:	3.34
IP(EA), eV:	-8.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7R)-4-(2,3-dimethoxyphenyl)-7-(2-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=CC=C4O)N=C2ON1)C5=CC=C(C=C5)C(C)C

DOS

IR

Vibrations