Geometry & MOs

Info

ID:	210315
PubChem CID:	80787794
Reduced:	FO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	286.190595
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	4.45
IP(EA), eV:	-8.61(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[propan-2-yl-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CCNC2=CC=CC(=C2[N+](=O)[O-])N

DOS

IR

Vibrations