Geometry & MOs

Info

ID:	386312
PubChem CID:	134981353
Reduced:	CrHNF2O5C10 (1)
Stoich.:	ABCD2E5F10 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	-106.85
Dipole, Da:	3.0
IP(EA), eV:	-9.45(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,7S)-3,7-diethoxycycloheptene

Drug info:

PubChemData

Smile

C#C/C(=C(\[N+]#[C-])/F)/F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations