Geometry & MOs

Info

ID:	4364
PubChem CID:	11290
Reduced:	NO6C23H25 (1)
Stoich.:	AB6C23D25 (1)
Weight, g/mol:	411.168188
ΔH_f, kcal/mol:	-193.83
Dipole, Da:	5.73
IP(EA), eV:	-8.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2,3-dihydroxybutanedioic acid;2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations