Geometry & MOs

Info

ID:	39800
PubChem CID:	8142354
Reduced:	Cl3N4H9C11 (1)
Stoich.:	A3B4C9D11 (1)
Weight, g/mol:	357.05757
ΔH_f, kcal/mol:	61.49
Dipole, Da:	2.75
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=NC(=NN1)C)C2=C(C=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations