Geometry & MOs

Info

ID:	47918
PubChem CID:	10535824
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	194.141913
ΔH_f, kcal/mol:	-101.59
Dipole, Da:	4.95
IP(EA), eV:	-9.99(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-3-(3-methylbutyl)-1-oxidopyrazin-1-ium

Drug info:

PubChemData

Smile

CCC1([C@H]2CC=CC[C@H]2C(=O)O1)CC

DOS

IR

Vibrations