Geometry & MOs

Info

ID:	164259
PubChem CID:	74382618
Reduced:	SN3F4O5H21C22 (1)
Stoich.:	AB3C4D5E21F22 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-288.71
Dipole, Da:	3.73
IP(EA), eV:	-8.98(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-ethoxyimino-2,2-dimethyl-1H-inden-1-yl)imidazol-4-yl]methanol

Drug info:

PubChemData

Smile

COCCOC1=C(C=CC(=N1)C(F)(F)F)C=CC(=O)NCC2=CC(=C(C(=C2)F)NS(=O)(=O)C)C#C

DOS

IR

Vibrations