Geometry & MOs

Info

ID:	62657
PubChem CID:	26732621
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-96.58
Dipole, Da:	6.66
IP(EA), eV:	-9.22(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] furan-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)COC2=CC(=CC(=C2)C)C)/C#N

DOS

IR

Vibrations