Geometry & MOs

Info

ID:	397074
PubChem CID:	135029690
Reduced:	NO3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	349.167794
ΔH_f, kcal/mol:	-105.62
Dipole, Da:	4.22
IP(EA), eV:	-8.97(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[pentanoyl(2-phenylethynyl)amino]ethyl benzoate

Drug info:

PubChemData

Smile

CCCCC(=O)N(CCOC(=O)C1=CC=CC=C1)C#CCCC(C)C

DOS

IR

Vibrations