Geometry & MOs

Info

ID:	138450
PubChem CID:	52368963
Reduced:	N3O3C22H36 (1)
Stoich.:	A3B3C22D36 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-125.46
Dipole, Da:	7.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758531
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-4-nitrophenyl)-2-(N,2,3-trimethylanilino)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[NH+](C1)C(C)(C)CNC(=O)CNC(=O)C2=CC=C(C=C2)OC(C)C

DOS

IR

Vibrations