Geometry & MOs

Info

ID:	35804
PubChem CID:	7980344
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-28.99
Dipole, Da:	0.91
IP(EA), eV:	-8.91(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations