Geometry & MOs

Info

ID:	320866
PubChem CID:	126663959
Reduced:	ClN2O8C28H31 (1)
Stoich.:	AB2C8D28E31 (1)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-291.52
Dipole, Da:	11.34
IP(EA), eV:	-7.81(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dihydro-3H-inden-5-ylmethyl acetate

Drug info:

PubChemData

Smile

C1CC(CCN(C1)CC2=CC(=C3C(=C2Cl)CC4CC=C[C@H]5CC(=O)C(=C([C@]5(C(=O)C4=C3O)O)O)C(=O)N)O)O

DOS

IR

Vibrations