Geometry & MOs

Info

ID:	237436
PubChem CID:	92719201
Reduced:	N2O4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	416.173607
ΔH_f, kcal/mol:	-52.23
Dipole, Da:	2.97
IP(EA), eV:	-8.78(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2C3=C(NOC3=NC4=C2C(=O)C[C@H](C4)C5=CC=CC=C5O)C

DOS

IR

Vibrations