Geometry & MOs

Info

ID:	387001
PubChem CID:	134983651
Reduced:	FePO6C30H31 (1)
Stoich.:	ABC6D30E31 (1)
Weight, g/mol:	152.120115
ΔH_f, kcal/mol:	-60.1
Dipole, Da:	5.48
IP(EA), eV:	-7.81(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-5-(methoxymethyl)-7-methylcyclohepta-1,3-diene

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C=CC=C1)COC.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.[Fe]

DOS

IR

Vibrations