Geometry & MOs

Info

ID:	310182
PubChem CID:	126576294
Reduced:	ON6C12H18 (1)
Stoich.:	AB6C12D18 (1)
Weight, g/mol:	474.229873
ΔH_f, kcal/mol:	20.98
Dipole, Da:	3.3
IP(EA), eV:	-8.27(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[(E)-1-[4-chloro-2-(methylideneamino)phenyl]prop-1-enyl]amino]phenyl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(CN1C=C(C=N1)NC2=NC=CC(=N2)NC)O

DOS

IR

Vibrations