Geometry & MOs

Info

ID:	39262
PubChem CID:	8140010
Reduced:	N3O6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	324.171202
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	5.7
IP(EA), eV:	-9.24(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(4-cyanophenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=O)O[C@H](C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations