Geometry & MOs

Info

ID:	307946
PubChem CID:	125310856
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	452.184841
ΔH_f, kcal/mol:	-4.49
Dipole, Da:	6.94
IP(EA), eV:	-8.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R,9aS)-2-ethyl-1,3,4,9a-tetrahydropyrido[3,4-b]indol-1-yl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=C(N=N1)O)C(C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C)OC)C4=C(N=N[C@H]4C)O

DOS

IR

Vibrations