Geometry & MOs

Info

ID:	180335
PubChem CID:	76617131
Reduced:	F3N3O3C28H28 (1)
Stoich.:	A3B3C3D28E28 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-227.41
Dipole, Da:	4.11
IP(EA), eV:	-8.27(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=CC1)C2=C(C=CC(=C2)C(F)(F)F)C=CC(=O)NC3=CC4=C(C=C3)NC=C4

DOS

IR

Vibrations