Geometry & MOs

Info

ID:	21485
PubChem CID:	588629
Reduced:	ClN4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	246.067224
ΔH_f, kcal/mol:	83.83
Dipole, Da:	3.35
IP(EA), eV:	-8.96(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzylideneamino)-4-chloro-6-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NN=CC2=CC=CC=C2)Cl

DOS

IR

Vibrations