Geometry & MOs

Info

ID:	396726
PubChem CID:	135029095
Reduced:	NSiO4C21H35 (1)
Stoich.:	ABC4D21E35 (1)
Weight, g/mol:	236.08373
ΔH_f, kcal/mol:	-231.03
Dipole, Da:	2.21
IP(EA), eV:	-8.83(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3S)-2-benzylidene-3-hydroxy-3H-inden-1-one

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@H](OC([C@H]2O1)NCC3=CC=CC=C3)CO[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations