Geometry & MOs

Info

ID:	272733
PubChem CID:	103753718
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	-11.17
Dipole, Da:	1.94
IP(EA), eV:	-9.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(1-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

Drug info:

PubChemData

Smile

CC1(CCCCC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC

DOS

IR

Vibrations