Geometry & MOs

Info

ID:	254855
PubChem CID:	103128199
Reduced:	ClN5C14H16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	243.123243
ΔH_f, kcal/mol:	87.43
Dipole, Da:	4.38
IP(EA), eV:	-8.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(3-methyltriazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Cl)C(C2=NN(C3=CC=CC=C32)C)N

DOS

IR

Vibrations