Geometry & MOs

Info

ID:	39216
PubChem CID:	8139931
Reduced:	NO3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	354.218152
ΔH_f, kcal/mol:	-128.88
Dipole, Da:	4.02
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(3S)-3-acetamido-3-phenylpropanoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)OCC2=NC(=NO2)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations