Geometry & MOs

Info

ID:	39211
PubChem CID:	8139924
Reduced:	NO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	324.171202
ΔH_f, kcal/mol:	-147.7
Dipole, Da:	4.59
IP(EA), eV:	-8.8(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(2-cyanophenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

DOS

IR

Vibrations