Geometry & MOs

Info

ID:	272429
PubChem CID:	103742935
Reduced:	F3N5C13H16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	231.148396
ΔH_f, kcal/mol:	-59.59
Dipole, Da:	9.59
IP(EA), eV:	-9.59(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propan-2-ylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

Drug info:

PubChemData

Smile

CC(C)C1(CC1)CNC2=NN3C(=NN=C3C(F)(F)F)C=C2

DOS

IR

Vibrations