Geometry & MOs

Info

ID:	404834
PubChem CID:	135071382
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	359.173273
ΔH_f, kcal/mol:	-20.97
Dipole, Da:	3.99
IP(EA), eV:	-9.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O/N=C(\CC=C)/C1=CC=CC=C1

DOS

IR

Vibrations