Geometry & MOs

Info

ID:	411571
PubChem CID:	135084403
Reduced:	ON2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	292.0688
ΔH_f, kcal/mol:	4.03
Dipole, Da:	3.82
IP(EA), eV:	-9.07(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-iodo-2-(3-methylbut-2-enyl)cycloheptane

Drug info:

PubChemData

Smile

CC(=C)C(=O)N(C)C1=CN=CC=C1

DOS

IR

Vibrations