Geometry & MOs

Info

ID:	337933
PubChem CID:	127258556
Reduced:	NO3H21C25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-54.55
Dipole, Da:	5.51
IP(EA), eV:	-8.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[benzyl(cyanomethyl)amino]butyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1=CC2=CC=CC=C2C=C1NC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations