Geometry & MOs

Info

ID:	61658
PubChem CID:	26711544
Reduced:	SN2O2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	405.11777
ΔH_f, kcal/mol:	-35.52
Dipole, Da:	4.26
IP(EA), eV:	-8.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[[[2-(4-bromophenoxy)acetyl]amino]methyl]phenyl]methyl-diethylazanium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)NC2=CN=C(C=C2)OC

DOS

IR

Vibrations