Geometry & MOs

Info

ID:	223958
PubChem CID:	85336284
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-121.02
Dipole, Da:	5.79
IP(EA), eV:	-9.38(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-[[2-(phenylcarbamoyl)hydrazinyl]methyl]-6-oxabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

C1C(CNC2C1C(=O)N(C(=O)N2)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations