Geometry & MOs

Info

ID:	315350
PubChem CID:	126625680
Reduced:	OF2N6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	396.11614
ΔH_f, kcal/mol:	-54.17
Dipole, Da:	2.01
IP(EA), eV:	-9.41(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylbutan-2-yl 4-(3-iodopropoxymethyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N/C(=N\C(CC(C1=CC(=CC(=C1)F)F)N)N)/NC(=O)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations