Geometry & MOs

Info

ID:	434059
PubChem CID:	135174216
Reduced:	ON5C26H27 (1)
Stoich.:	AB5C26D27 (1)
Weight, g/mol:	489.11825
ΔH_f, kcal/mol:	94.19
Dipole, Da:	4.36
IP(EA), eV:	-9.15(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-ylmethyl)-N'-[[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-prop-2-enoxyphenyl]methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC(=CC(=C2)OCC3=CC=CC=N3)/C=C/C4=CC(=CN=C4)C#N

DOS

IR

Vibrations