Geometry & MOs

Info

ID:	223375
PubChem CID:	85334933
Reduced:	O2S2N3C11H15 (1)
Stoich.:	A2B2C3D11E15 (1)
Weight, g/mol:	290.13068
ΔH_f, kcal/mol:	-41.44
Dipole, Da:	4.89
IP(EA), eV:	-9.03(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzylidene-2,6-dimethylinden-1-yl)acetic acid

Drug info:

PubChemData

Smile

CC(CN1C(=O)C2C(=NC1=O)C=CN2C)(CS)S

DOS

IR

Vibrations