Geometry & MOs

Info

ID:	62655
PubChem CID:	26732618
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-86.23
Dipole, Da:	5.13
IP(EA), eV:	-9.22(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-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#N

DOS

IR

Vibrations