Geometry & MOs

Info

ID:	254558
PubChem CID:	103126097
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	266.153147
ΔH_f, kcal/mol:	-42.37
Dipole, Da:	4.58
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(4-methylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

Drug info:

PubChemData

Smile

COCCC1=CC=CC=C1N2C=CNC2=O

DOS

IR

Vibrations