Geometry & MOs

Info

ID:	404930
PubChem CID:	135071823
Reduced:	NO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	407.173273
ΔH_f, kcal/mol:	-178.34
Dipole, Da:	2.75
IP(EA), eV:	-9.48(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[benzyl(4-phenylbut-3-ynoyl)amino]propanedioate

Drug info:

PubChemData

Smile

CCCC#CCC(=O)N(CC1=CC=CC=C1)C(C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations