Geometry & MOs

Info

ID:	289697
PubChem CID:	104368135
Reduced:	ClNSO5H6C11 (1)
Stoich.:	ABCD5E6F11 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	2.18
IP(EA), eV:	-10.1(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethoxypyrazin-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])Cl)OC2=CC=C(S2)C(=O)O

DOS

IR

Vibrations