Geometry & MOs

Info

ID:	252402
PubChem CID:	103111120
Reduced:	O4N5C12H17 (1)
Stoich.:	A4B5C12D17 (1)
Weight, g/mol:	268.143645
ΔH_f, kcal/mol:	-49.03
Dipole, Da:	3.01
IP(EA), eV:	-10.18(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NOC(=C2)COC)CN

DOS

IR

Vibrations