Geometry & MOs

Info

ID:	434028
PubChem CID:	135174181
Reduced:	ON2F3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	503.09752
ΔH_f, kcal/mol:	-112.67
Dipole, Da:	7.25
IP(EA), eV:	-9.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)C(F)(F)F)CNCC3CNC3

DOS

IR

Vibrations