Geometry & MOs

Info

ID:	344359
PubChem CID:	127267535
Reduced:	O2F3N3H14C15 (1)
Stoich.:	A2B3C3D14E15 (1)
Weight, g/mol:	341.098726
ΔH_f, kcal/mol:	-172.16
Dipole, Da:	8.2
IP(EA), eV:	-8.05(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-3-imidazol-1-yl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=C(N=CO3)C(F)(F)F

DOS

IR

Vibrations