Geometry & MOs

Info

ID:	397073
PubChem CID:	135029688
Reduced:	NO3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	343.214744
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	1.07
IP(EA), eV:	-9.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methylhex-1-ynyl(pentanoyl)amino]ethyl benzoate

Drug info:

PubChemData

Smile

CCCCC(=O)N(CCOC(=O)C1=CC=CC=C1)C#CCC2=CC=CC=C2

DOS

IR

Vibrations