Geometry & MOs

Info

ID:	309855
PubChem CID:	126562410
Reduced:	FIO2N6H28C31 (1)
Stoich.:	ABC2D6E28F31 (1)
Weight, g/mol:	290.153147
ΔH_f, kcal/mol:	22.82
Dipole, Da:	10.1
IP(EA), eV:	-8.47(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CCCCC(=O)NC1=CC(=CC(=C1)C2=CC(=C(N=C2)N)/C(=C/3\C=C4C(=CN=CC4=N3)C5=CC(=CC(=C5)F)OC)/N)I

DOS

IR

Vibrations