Geometry & MOs

Info

ID:	225051
PubChem CID:	85735849
Reduced:	ON2H7C10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	398.188195
ΔH_f, kcal/mol:	20.4
Dipole, Da:	0.11
IP(EA), eV:	-9.38(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;3-benzyl-3-(1H-inden-2-yl)-1,2-dihydroinden-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)N)C(=O)N

DOS

IR

Vibrations