Geometry & MOs

Info

ID:	253049
PubChem CID:	103115709
Reduced:	O2F3N5C11H12 (1)
Stoich.:	A2B3C5D11E12 (1)
Weight, g/mol:	267.11201
ΔH_f, kcal/mol:	-155.16
Dipole, Da:	4.08
IP(EA), eV:	-9.93(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(aminomethyl)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(F)(F)F)C2=CN=CN2C

DOS

IR

Vibrations