Geometry & MOs

Info

ID:	44118
PubChem CID:	10500847
Reduced:	O3C11H17 (2)
Stoich.:	A3B11C17 (2)
Weight, g/mol:	394.19328
ΔH_f, kcal/mol:	-250.75
Dipole, Da:	5.2
IP(EA), eV:	-9.93(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-7-[3-(4-methoxyphenyl)cyclohepta-2,4,6-trien-1-yl]cyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CC2[C@@](CC[C@H](C2(C)C)O)(C3[C@@]14C[C@]([C@@H](C3)O)(C5C4O5)CO)C

DOS

IR

Vibrations