Geometry & MOs

Info

ID:	184998
PubChem CID:	77239293
Reduced:	ClINO10C29H29 (1)
Stoich.:	ABCD10E29F29 (1)
Weight, g/mol:	297.157623
ΔH_f, kcal/mol:	-379.13
Dipole, Da:	4.1
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(hydroxymethyl)-6-(nitromethyl)-6-bicyclo[3.2.0]hept-3-enyl]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)N2C=C(C3=C2C=CC=C3Cl)C(C4=CC=C(C=C4)I)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations