Geometry & MOs

Info

ID:	134317
PubChem CID:	51680322
Reduced:	N2O2C24H33 (1)
Stoich.:	A2B2C24D33 (1)
Weight, g/mol:	485.241352
ΔH_f, kcal/mol:	-61.74
Dipole, Da:	1.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.878444
Charge, e:	0

Chem-info

IUPAC name:

6-O-methyl 3-O-(2-propoxyethyl) (4R,6S,7R)-4-(2-ethoxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C[N+]2=C3CCCN3C(=C2)C4=CC=CC=C4)C(C)C

DOS

IR

Vibrations