Geometry & MOs

Info

ID:	395225
PubChem CID:	135024958
Reduced:	N2O3C13H15 (2)
Stoich.:	A2B3C13D15 (2)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-225.66
Dipole, Da:	5.54
IP(EA), eV:	-9.56(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyano-4-isocyanobutyl)-1-morpholin-4-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)N1[C@H](C(=O)N(C1=O)CC)CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations