Geometry & MOs

Info

ID:	140042
PubChem CID:	52635508
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	386.153838
ΔH_f, kcal/mol:	-56.36
Dipole, Da:	6.9
IP(EA), eV:	-9.45(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[[2-[(4-cyanophenyl)methylsulfonyl]acetyl]amino]phenyl]-diethylazanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations