Geometry & MOs

Info

ID:	397075
PubChem CID:	135029691
Reduced:	NO3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	377.199094
ΔH_f, kcal/mol:	-41.02
Dipole, Da:	3.35
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[pentanoyl(4-phenylbut-1-ynyl)amino]ethyl benzoate

Drug info:

PubChemData

Smile

CCCCC(=O)N(CCOC(=O)C1=CC=CC=C1)C#CC2=CC=CC=C2

DOS

IR

Vibrations