Geometry & MOs

Info

ID:	434408
PubChem CID:	135174889
Reduced:	BrClO2N3C24H27 (1)
Stoich.:	ABC2D3E24F27 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	1.1
Dipole, Da:	4.07
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[(azetidin-3-ylmethylamino)methyl]-5-prop-2-enoxyphenoxy]methyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)/C=C/C2=C(C=C(C=C2)Cl)Br)CNCCNC(=O)C3CNC3

DOS

IR

Vibrations