Geometry & MOs

Info

ID:	434043
PubChem CID:	135174196
Reduced:	BrClN3O3C24H25 (1)
Stoich.:	ABC3D3E24F25 (1)
Weight, g/mol:	503.09752
ΔH_f, kcal/mol:	-41.52
Dipole, Da:	4.4
IP(EA), eV:	-9.21(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azetidin-3-ylmethylamino)-N-[[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-prop-2-enoxyphenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)C(=O)NCC(=O)NCC2CNC2)/C=C/C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations