Geometry & MOs

Info

ID:	39807
PubChem CID:	8142398
Reduced:	NO4H12C17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	358.095357
ΔH_f, kcal/mol:	-112.62
Dipole, Da:	7.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755290
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(4-nitrophenyl)-9-oxofluorene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)[O-])N1C(=O)C2=C3C(=CC=C4C3=C(CC4)C=C2)C1=O

DOS

IR

Vibrations