Geometry & MOs

Info

ID:	137684
PubChem CID:	52243909
Reduced:	F2N3O4C19H28 (1)
Stoich.:	A2B3C4D19E28 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-248.86
Dipole, Da:	3.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.810154
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyclopentyloxyphenyl)methyl]-3-methyl-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C[NH+](C)CC(=O)N2CCC(CC2)C(=O)N)OC(F)F

DOS

IR

Vibrations