Geometry & MOs

Info

ID:	224442
PubChem CID:	85342900
Reduced:	NO2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	459.168188
ΔH_f, kcal/mol:	-29.83
Dipole, Da:	11.15
IP(EA), eV:	-8.84(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-1,3-dioxan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C1C(OC(=C2C=C(C=C(C2=O)C(C)(C)C)[N+](=O)[O-])N1)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations