Geometry & MOs

Info

ID:	434390
PubChem CID:	135174823
Reduced:	BrClN2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	385.07897
ΔH_f, kcal/mol:	68.82
Dipole, Da:	3.24
IP(EA), eV:	-9.07(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[(azetidin-3-ylmethylamino)methyl]phenoxy]methyl]-3-bromobenzonitrile

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC=C(C=C2)/C=C/C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations