Geometry & MOs

Info

ID:	243559
PubChem CID:	99226811
Reduced:	FON3H18C22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	357.132471
ΔH_f, kcal/mol:	27.84
Dipole, Da:	4.0
IP(EA), eV:	-8.81(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3-acetamidophenyl)ethyl]-5-methoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC2=CC=CC=C2C=C1)C(=O)C3=NN(C=C3)C4=CC(=CC=C4)F

DOS

IR

Vibrations