Geometry & MOs

Info

ID:	584
PubChem CID:	3034
Reduced:	OCl3N6H13C14 (1)
Stoich.:	AB3C6D13E14 (1)
Weight, g/mol:	386.021642
ΔH_f, kcal/mol:	8.41
Dipole, Da:	6.23
IP(EA), eV:	-8.68(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-6-chloro-N-[1-[(2,4-dichlorophenyl)methylamino]ethenyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C=C(NCC1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=C(N=C(C(=N2)Cl)N)N

DOS

IR

Vibrations