Geometry & MOs

Info

ID:	402783
PubChem CID:	135057259
Reduced:	C8H9N11 (1)
Stoich.:	A8B9C11 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	233.07
Dipole, Da:	3.62
IP(EA), eV:	-9.04(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[5-[(1R)-1-hydroxyethyl]-2,4-dimethylphenyl]ethyl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NN=C(N=N2)NC3=NNN=N3)C

DOS

IR

Vibrations