Geometry & MOs

Info

ID:	254754
PubChem CID:	103127417
Reduced:	F3N3C13H16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	230.153147
ΔH_f, kcal/mol:	-115.59
Dipole, Da:	5.72
IP(EA), eV:	-8.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl(pyrazolo[1,5-a]pyrazin-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(CCC(F)(F)F)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations