Geometry & MOs

Info

ID:	395855
PubChem CID:	135026731
Reduced:	NO7C20H29 (1)
Stoich.:	AB7C20D29 (1)
Weight, g/mol:	376.163436
ΔH_f, kcal/mol:	-315.99
Dipole, Da:	2.72
IP(EA), eV:	-9.67(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[1-cyano-1-(phenylmethoxycarbonylamino)propan-2-yl]propanedioate

Drug info:

PubChemData

Smile

CCOC(C(C)C(C(=O)OCC)C(=O)OCC)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations