Geometry & MOs

Info

ID:	209316
PubChem CID:	80652102
Reduced:	SN5C9H11 (1)
Stoich.:	AB5C9D11 (1)
Weight, g/mol:	268.093581
ΔH_f, kcal/mol:	76.99
Dipole, Da:	1.73
IP(EA), eV:	-8.39(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine

Drug info:

PubChemData

Smile

CC(C1=NC=CS1)NC2=NC=C(N=C2)N

DOS

IR

Vibrations