Geometry & MOs

Info

ID:	29126
PubChem CID:	831744
Reduced:	O2F3N3C16H18 (1)
Stoich.:	A2B3C3D16E18 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-199.38
Dipole, Da:	3.25
IP(EA), eV:	-9.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-ethylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN([C@](C2)(C(F)(F)F)O)C(=O)C3=CN=CC=C3

DOS

IR

Vibrations