Geometry & MOs

Info

ID:	20821
PubChem CID:	585938
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-43.02
Dipole, Da:	2.6
IP(EA), eV:	-9.27(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-yl)-2-(3,5,6-trimethylpyrazin-2-yl)ethanol

Drug info:

PubChemData

Smile

CC1=C(N=C(C(=N1)C)CC(C2=CC=CO2)O)C

DOS

IR

Vibrations