Geometry & MOs

Info

ID:	14227
PubChem CID:	406851
Reduced:	O4C23H28 (1)
Stoich.:	A4B23C28 (1)
Weight, g/mol:	368.198759
ΔH_f, kcal/mol:	-122.4
Dipole, Da:	2.27
IP(EA), eV:	-9.37(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-(hydroxymethyl)-3-methoxy-2-methyl-5-methylidene-7-(2-phenylethyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one

Drug info:

PubChemData

Smile

CC1(C(C2C(C(=C)C3(CC3)C(=C2C1=O)CCC4=CC=CC=C4)O)OC)CO

DOS

IR

Vibrations