Geometry & MOs

Info

ID:	299120
PubChem CID:	117671500
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	419.246044
ΔH_f, kcal/mol:	-77.05
Dipole, Da:	5.06
IP(EA), eV:	-9.23(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-benzoylphenyl)-1-hydroxypropyl]undec-10-ynamide

Drug info:

PubChemData

Smile

C=CC[C@H]([C@@H](CCCC1=CC=CC=C1)O)C(=O)N

DOS

IR

Vibrations