Geometry & MOs

Info

ID:	393736
PubChem CID:	135021576
Reduced:	O2N3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	25.87
Dipole, Da:	5.27
IP(EA), eV:	-10.1(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,13S,14R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN=NC1C2=CC=CC=C2

DOS

IR

Vibrations