Geometry & MOs

Info

ID:	396710
PubChem CID:	135029060
Reduced:	NF3O3H16C19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	321.172879
ΔH_f, kcal/mol:	-240.84
Dipole, Da:	1.68
IP(EA), eV:	-9.26(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-(2-methylphenanthridin-6-yl)pentanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)C1=NC2=CC=CC=C2C3=C1C=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations