Geometry & MOs

Info

ID:	310184
PubChem CID:	126576309
Reduced:	N2O5C22H28 (1)
Stoich.:	A2B5C22D28 (1)
Weight, g/mol:	398.198573
ΔH_f, kcal/mol:	-92.19
Dipole, Da:	13.06
IP(EA), eV:	-6.83(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-1-[4-chloro-2-(methylideneamino)phenyl]prop-1-enyl]-N-(4-piperidin-1-ylpyrimidin-2-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CNC(=O)OC1=C2C3C(CC4[C@]5(C3(CCN4CC6CC6)C(O2)C(=O)CC5)O)C=C1

DOS

IR

Vibrations