Geometry & MOs

Info

ID:	184347
PubChem CID:	77148815
Reduced:	N2O6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	315.108228
ΔH_f, kcal/mol:	-138.4
Dipole, Da:	5.28
IP(EA), eV:	-9.37(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-hydroxy-1-methyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indol-5-yl) 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1C(C(C(O1)(CO)N2C=CC3=C2C=CC=C3[N+](=O)[O-])O)O

DOS

IR

Vibrations