Geometry & MOs

Info

ID:	220251
PubChem CID:	85177071
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-132.1
Dipole, Da:	2.98
IP(EA), eV:	-9.57(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxypropyl)-2-(methoxymethyl)-3H-inden-1-one

Drug info:

PubChemData

Smile

CC1C2OC(C3=CC=CC=C13)(OO2)C(C)(C)C

DOS

IR

Vibrations