Geometry & MOs

Info

ID:	254795
PubChem CID:	103127738
Reduced:	N5C16H21 (1)
Stoich.:	A5B16C21 (1)
Weight, g/mol:	320.00729
ΔH_f, kcal/mol:	80.94
Dipole, Da:	5.97
IP(EA), eV:	-8.62(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-fluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=NC=CN1C)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations