Geometry & MOs

Info

ID:	154477
PubChem CID:	56313921
Reduced:	NF2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	385.168936
ΔH_f, kcal/mol:	-126.73
Dipole, Da:	4.01
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)/C=C/C1=CC(=C(C=C1)OC)F)C2=CC=CC=C2F

DOS

IR

Vibrations