Geometry & MOs

Info

ID:	445966
PubChem CID:	135270096
Reduced:	ClON5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	331.179696
ΔH_f, kcal/mol:	71.21
Dipole, Da:	2.11
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-methyl-6-(methylideneamino)anilino]methyl]-5-(4-methylphenyl)pyrazin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CN=C(C(=N2)C3N(N=C(O3)C4=CC=CC=C4)C)N)Cl

DOS

IR

Vibrations