Geometry & MOs

Info

ID:	149870
PubChem CID:	53789549
Reduced:	SO5C25H38 (1)
Stoich.:	AB5C25D38 (1)
Weight, g/mol:	271.095691
ΔH_f, kcal/mol:	-236.86
Dipole, Da:	3.42
IP(EA), eV:	-8.68(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-methoxy-5H-pyrimido[5,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC=C(C1C[C@@H](C[C@]1(C(=O)CCCCC2=C(SC=C2)C)O)O)C(=O)OC(C)C

DOS

IR

Vibrations