Geometry & MOs

Info

ID:	237428
PubChem CID:	92719179
Reduced:	N2O3H20C23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	2.59
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7S)-7-(2-hydroxyphenyl)-3-methyl-4-(4-propan-2-ylphenyl)-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=CC=C5

DOS

IR

Vibrations